4,5-Dihydro-1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazole
PubChem CID
108884
Structure
Molecular Formula
Synonyms
- 60078-97-9
- 1-Phenyl-3-(2,4,6-trimethylphenyl)-2-pyrazoline
- 4,5-Dihydro-1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazole
- 3-mesityl-1-phenyl-4,5-dihydro-1h-pyrazole
- 2-phenyl-5-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole
Molecular Weight
264.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-07-28
- Modify:2025-01-25
Chemical Structure Depiction
2-phenyl-5-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C18H20N2/c1-13-11-14(2)18(15(3)12-13)17-9-10-20(19-17)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
BJEAUUFMQKUXAX-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1=CC(=C(C(=C1)C)C2=NN(CC2)C3=CC=CC=C3)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C18H20N2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 60078-97-9
- 1-Phenyl-3-(2,4,6-trimethylphenyl)-2-pyrazoline
- 4,5-Dihydro-1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazole
- 3-mesityl-1-phenyl-4,5-dihydro-1h-pyrazole
- 2-phenyl-5-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole
- MFCD00153039
- EINECS 262-048-0
- 1-phenyl-3-mesityl-2-pyrazoline
- SCHEMBL1883643
- DTXSID50208817
- 3-Mesityl-1-phenyl-2-pyrazoline
- BJEAUUFMQKUXAX-UHFFFAOYSA-N
- AKOS025295523
- 3-Mesityl-1-phenyl-4,5-dihydropyrazole
- AS-70581
- SY054533
- DB-324812
- CS-0153363
- NS00034297
- P1951
- T72684
- 1-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-pyrazole
- 1-PHENYL-3-(2,4,6-TRIMETHYLPHENYL)-4,5-DIHYDROPYRAZOLE
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
264.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
4.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
264.162648646 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
264.162648646 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
15.6 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
20
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
344
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
1H-Pyrazole, 4,5-dihydro-1-phenyl-3-(2,4,6-trimethylphenyl)- (annotation moved to)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=BJEAUUFMQKUXAX-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/1-Phenyl-3-mesityl-2-pyrazolinehttps://commonchemistry.cas.org/detail?cas_rn=60078-97-9
- ChemIDplus4,5-Dihydro-1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazolehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0060078979ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox4,5-Dihydro-1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazolehttps://comptox.epa.gov/dashboard/DTXSID50208817CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice4,5-dihydro-1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazolehttps://echa.europa.eu/substance-information/-/substanceinfo/100.056.389
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- Wikidata4,5-Dihydro-1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazolehttps://www.wikidata.org/wiki/Q83082975
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388821992https://pubchem.ncbi.nlm.nih.gov/substance/388821992
CONTENTS