Pyrazol-1-ide
PubChem CID
5460486
Structure
Molecular Formula
Synonyms
- pyrazol-1-ide
- pyrazol-2-ide
- pyrazolide anion
- pz
- 4H-pyrazol-4-ide
Molecular Weight
67.07 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Dates
- Create:2004-09-16
- Modify:2025-01-25
Description
Pyrazol-1-ide is a pyrazolide. It is a conjugate base of a 1H-pyrazole.
Chemical Structure Depiction
COD records with this CID as component
- 2200975
- 2207043
- 2220900
- 4060002
- 4067578
- 4071986
- 4071988
- 4077661
- 4077662
- 4077663
- 4077664
- 4078331
- 4110184
- 4115830
- 4126973
- 4132780
- 4132783
- 4302246
- 4302248
- 4302249
- 4304532
- 4304535
- 4305549
- 4305550
- 4305746
- 4307091
- 4309527
- 4312655
- 4313754
- 4313914
- 4314742
- 4315252
- 4317838
- 4321356
- 4321823
- 4321825
- 4323430
- 4323431
- 4324339
- 4335928
- 4339174
- 4348029
- 4348030
- 4501527
- 4510955
- 4510958
- 4510959
- 4512545
- 4513605
- 7001523
- 7001885
- 7002723
- 7002724
- 7002725
- 7005024
- 7014603
- 7016666
- 7020784
- 7020785
- 7020789
- 7021866
- 7029851
- 7032215
- 7032217
- 7033395
- 7037100
- 7046216
- 7046217
- 7046218
- 7046700
- 7059190
- 7060458
- 7222485
- 7223362
- 7230888
- 7701736
- 7701737
- 8100643
pyrazol-2-ide
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C3H3N2/c1-2-4-5-3-1/h1-3H/q-1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
LBLQPCAYBXWESC-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1=C[N-]N=C1
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C3H3N2-
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
67.07 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-0.5
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
67.029623104 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
67.029623104 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
13.9 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
5
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
-1
Reference
Computed by PubChem
Property Name
Complexity
Property Value
24.1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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 2019.01.04)
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.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=LBLQPCAYBXWESC-UHFFFAOYSA-N
- ChEBI
- Crystallography Open Database (COD)LICENSEAll data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.https://creativecommons.org/publicdomain/zero/1.0/
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics Workbench
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidatapyrazol-1-idehttps://www.wikidata.org/wiki/Q1060098684H-pyrazol-4-idehttps://www.wikidata.org/wiki/Q106009870
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 391064423https://pubchem.ncbi.nlm.nih.gov/substance/391064423
CONTENTS