49791305 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 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 3 3 3 4 4 4 5 6 6 6 7 7 8 9 9 10 10 11 11 12 13 13 14 15 17 18 18 19 19 19 20 20 21 21 22 22 23 23 24 8 12 16 5 15 19 16 18 31 17 7 8 11 10 12 9 13 16 15 17 14 25 26 14 27 28 29 30 20 21 32 33 34 22 35 23 36 24 37 24 38 39 1 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 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 5.5443 4.5981 6.8083 2.866 5.8578 4.5981 5.5443 4.5981 3.732 5.855 3.732 6.1279 2.866 2.866 6.8066 3.732 5.2686 2.866 7.6183 3.732 2 3.732 2 2.866 3.732 6.7479 2.3291 2.3291 7.3075 4.6486 2.3291 7.9819 8.1205 7.2548 4.269 1.4631 4.269 1.4631 2.866 0.1208 -1.5745 3.9881 -1.5745 4.2988 1.4255 1.7302 0.4255 -0.0745 2.6808 1.9255 0.9255 0.4255 1.4255 2.9881 -1.0745 3.4908 -2.5745 4.5745 -3.0745 -3.0745 -4.0745 -4.0745 -4.5745 2.5455 0.9255 0.1155 1.7355 2.6228 3.4919 -1.2645 4.0723 4.9381 5.0767 -2.7645 -2.7645 -4.3845 -4.3845 -5.1945 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 5 6 6 6 7 8 9 10 10 11 13 18 18 20 21 22 23 8 12 5 15 17 7 8 11 12 9 13 15 17 14 14 20 21 22 23 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 452 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B300000000000000000000000000000016240000030600000000000004801FC00001E00180000000C0CE19A063EC6D2C80440AA02BD77D400920C0035A20018D8212C6CD80C26BECCF5DB86BD68E6FC11C8E987BCD9F28E80000200000800000000040000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1-methylpyrazol-4-yl)-N-phenyl-benzofuran-7-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1-methyl-4-pyrazolyl)-N-phenyl-7-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1-methylpyrazol-4-yl)-<I>N</I>-phenyl-1-benzofuran-7-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1-methylpyrazol-4-yl)-N-phenyl-1-benzofuran-7-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1-methylpyrazol-4-yl)-N-phenyl-1-benzofuran-7-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(1-methylpyrazol-4-yl)-N-phenyl-benzofuran-7-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H15N3O2/c1-22-11-13(10-20-22)17-12-24-18-15(17)8-5-9-16(18)19(23)21-14-6-3-2-4-7-14/h2-12H,1H3,(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XCBHMCYLGBKDMG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 317.116426730 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H15N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 317.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=C(C=N1)C2=COC3=C2C=CC=C3C(=O)NC4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=C(C=N1)C2=COC3=C2C=CC=C3C(=O)NC4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 60.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 317.116426730 24 0 0 0 0 0 0 0 1 -1