11958755 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 8 8 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 6 6 7 7 8 8 8 9 10 11 11 13 14 14 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 24 25 25 26 27 27 27 13 24 27 5 9 13 9 11 12 7 10 18 31 12 32 33 10 12 14 15 15 16 17 28 19 29 20 30 21 22 23 34 23 35 24 36 25 37 38 26 26 39 40 41 42 43 2 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 6 -1 7 10 9 12 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 5.4641 11.1439 6.3301 5.4641 7.2764 7.587 8.5655 8.86 6.3301 7.2764 4.5981 7.86 5.4641 3.732 4.5981 3.732 2.866 8.8762 2.866 2 9.8547 8.2083 2 10.1653 8.519 9.4975 11.4545 4.0611 4.269 2.866 8.9796 9.17 9.17 2.866 1.4631 10.2687 7.6017 1.4631 8.1049 9.6901 12.0438 11.6471 10.8652 -3.6127 2.6622 -2.1127 -0.6127 -2.4175 0.1425 0.3487 -1.6127 -1.1127 -0.808 -1.1127 -1.6127 -2.6127 -0.6127 -2.1127 0.3873 -1.1127 1.2993 0.8873 -0.6127 1.5055 2.0436 0.3873 2.456 2.9941 3.2003 3.6127 -2.4227 0.6973 -1.7327 -0.1127 -2.1497 -1.0758 1.5073 -0.9227 1.044 1.9157 0.6973 3.4556 3.7896 3.4201 4.2021 3.8054 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 11 13 14 14 16 17 18 18 19 20 21 22 24 25 9 13 9 11 15 15 16 17 19 20 21 22 23 23 24 25 26 26 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 720 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB000000000000000000000000000000100000000306080000000000040014000001E00180000000C0C81980233C682620400A80327727400920C012022001B8800266CC80C262284F99B84302066DC1988E94790D0010E00000002000000000000000400000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-2-amino-3-[(3-methoxyphenyl)hydrazono]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-2-amino-3-[(3-methoxyphenyl)hydrazinylidene]-5-phenyl-7-pyrazolo[1,5-a]pyrimidinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3<I>E</I>)-2-amino-3-[(3-methoxyphenyl)hydrazinylidene]-5-phenylpyrazolo[1,5-a]pyrimidin-7-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-2-amino-3-[(3-methoxyphenyl)hydrazinylidene]-5-phenylpyrazolo[1,5-a]pyrimidin-7-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-2-azanyl-3-[(3-methoxyphenyl)hydrazinylidene]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-2-amino-3-[(3-methoxyphenyl)hydrazono]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H16N6O2/c1-27-14-9-5-8-13(10-14)22-23-17-18(20)24-25-16(26)11-15(21-19(17)25)12-6-3-2-4-7-12/h2-11,22H,1H3,(H2,20,24)/b23-17+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KBKZKGBBUGWBJI-HAVVHWLPSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 360.13347377 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H16N6O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 360.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)NN=C2C(=NN3C2=NC(=CC3=O)C4=CC=CC=C4)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)N/N=C/2\C(=NN3C2=NC(=CC3=O)C4=CC=CC=C4)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 105 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 360.13347377 27 0 0 0 1 1 0 0 1 -1