4487 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 8 8 7 7 7 7 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 3 3 3 4 4 5 5 5 6 6 7 7 8 10 10 11 11 11 12 12 12 13 13 14 14 15 16 16 17 17 18 19 19 20 20 21 22 22 23 9 15 4 7 11 9 10 8 15 30 21 23 8 12 9 13 14 24 25 26 27 28 29 16 31 17 32 19 18 33 18 34 35 20 21 22 36 37 23 38 39 2 2 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 2 1 1 1 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 5.5202 3.4466 2.9511 3.7601 4.8479 6.6112 3.2601 4.2601 4.5691 3.7601 2 2.6723 4.6261 2.894 4.4411 4.6261 2.894 3.7601 5.0289 4.6222 6.0234 5.21 6.2045 1.8084 1.4103 2.1916 3.1739 2.3079 2.1707 5.4645 5.163 2.3571 5.163 2.3571 3.7601 4.0056 6.2756 4.9578 6.5689 -1.1177 1.9694 -0.8087 -1.3965 0.9514 3.3784 0.1424 0.1424 -0.8087 -2.3965 -1.1177 0.9514 -2.8965 -2.8965 1.8649 -3.8965 -3.8965 -4.3965 2.6739 3.5875 2.5694 4.3965 4.292 -0.5281 -1.3093 -1.7074 1.3158 1.453 0.5869 0.8866 -2.5865 -2.5865 -4.2065 -4.2065 -5.0165 3.6523 2.003 4.9629 4.7936 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 6 6 7 8 10 10 13 14 16 17 19 19 20 22 4 7 9 21 23 8 9 13 14 16 17 18 18 20 21 22 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 511 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0000000000000000000000000000001000000003C400000000000000001C000001E00180000000C08C19A043EC092C81000A802357754008284203502201AD821B864D80860FAC0D5B1942188608400C8C9C71801000C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)pyridine-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyridine-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyridine-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)pyridine-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)nicotinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BRZANEXCSZCZCI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 308.12732577 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H16N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 308.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 65.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 308.12732577 23 0 0 0 0 0 0 0 1 -1