49778181 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 44 45 9 8 8 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 1 1 2 2 3 3 4 4 5 6 6 6 7 7 7 8 9 9 10 10 11 11 12 13 13 14 16 17 17 18 18 19 19 20 20 21 22 22 23 25 25 25 26 26 26 27 27 27 24 14 25 16 26 21 27 15 8 11 30 13 15 29 9 10 12 14 17 12 15 28 16 18 19 20 22 31 23 32 24 33 21 34 23 24 35 36 37 38 39 40 41 42 43 44 45 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 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 40 41 42 43 44 45 2.613 5.7776 2.866 4.5981 6.3301 6.2731 4.5981 5.9641 4.9641 4.3763 5.4641 4.6551 4.5981 4.783 5.4641 3.732 3.3818 5.4641 4.1953 3.732 4.5981 2.794 5.4641 3.2008 6.1843 2 5.4641 4.0654 4.0611 6.8628 3.1296 6.001 4.4474 3.1951 2.1774 6.001 6.7507 6.4365 5.6179 1.69 1.4631 2.31 5.1541 6.001 5.7741 5.3874 3.9785 -1.8874 -4.8874 -0.8875 1.2003 -0.8875 2.1514 2.1514 2.9604 0.6125 1.2003 -1.8874 3.874 -0.3875 -2.3874 2.8559 -2.3874 4.683 -3.3874 -3.8874 3.6649 -3.3874 4.5784 4.892 -2.3874 -5.3874 1.0087 -0.5775 1.0087 2.2895 -2.0775 5.2494 -3.6974 3.6001 -3.6974 4.6398 5.4584 5.1442 -1.8505 -2.6974 -2.9244 -5.9244 -5.6974 -4.8505 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 9 10 10 11 13 13 14 16 17 18 19 20 21 22 8 11 9 12 14 17 12 16 18 19 20 22 23 24 21 23 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 498 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B390000000000000000000000000000016000000030600000000000000001D000001F00180000000C0C819E0A32C692E30400AA0325725000920C0027220018B921B76CD80E67B2C4F5DB95B52867DC15D8E987BCF8AD8E00400008000810000080001000102000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-3-(4-fluoro-2-methoxy-phenyl)-1H-pyrazole-5-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(2,4-dimethoxyphenyl)-3-(4-fluoro-2-methoxyphenyl)-1<I>H</I>-pyrazole-5-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-3-(4-fluoranyl-2-methoxy-phenyl)-1H-pyrazole-5-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-3-(4-fluoro-2-methoxy-phenyl)-1H-pyrazole-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H18FN3O4/c1-25-12-5-7-14(18(9-12)27-3)21-19(24)16-10-15(22-23-16)13-6-4-11(20)8-17(13)26-2/h4-10H,1-3H3,(H,21,24)(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NINNGQOWSYNEGP-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 2021.05.07 371.12813423 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H18FN3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=C(C=C1)NC(=O)C2=CC(=NN2)C3=C(C=C(C=C3)F)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=C(C=C1)NC(=O)C2=CC(=NN2)C3=C(C=C(C=C3)F)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 85.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.12813423 27 0 0 0 0 0 0 0 1 -1