46920352 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 46 47 48 49 17 8 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 6 1 1 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 5 6 7 7 7 8 8 8 9 10 10 10 11 12 12 13 14 15 15 16 16 18 18 19 20 21 22 22 23 23 24 26 26 26 27 27 27 28 28 28 29 29 29 25 14 26 19 27 20 28 24 29 17 9 12 32 15 17 33 11 11 14 16 13 13 17 30 18 19 22 21 31 20 34 23 21 35 25 36 24 37 25 38 39 40 41 42 43 44 45 46 47 48 49 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 1 2 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 46 47 48 49 6.7117 6.1591 3.2476 2.9945 4.9796 6.7117 6.6547 4.9796 6.3457 4.7579 5.3457 5.8457 5.0366 5.1646 4.9796 3.7634 5.8457 4.5768 4.1136 3.5823 3.1756 5.8457 4.1136 4.9796 5.8457 6.5659 2.3816 2 4.1136 4.447 3.5112 7.2443 4.4427 4.829 2.559 6.3826 3.5767 7.1323 6.818 5.9995 2.0716 1.8446 2.6916 1.9352 1.3834 2.0648 3.8036 3.5767 4.4236 -3.8874 3.9785 -1.8874 5.3874 -4.8874 -0.8875 1.2003 -0.8875 2.1514 2.9604 2.1514 0.6125 1.2003 3.874 -1.8874 2.8559 -0.3875 4.683 -2.3874 4.5784 3.6649 -2.3874 -3.3874 -3.8874 -3.3874 4.892 -2.3874 5.2829 -5.3874 1.0087 2.2895 1.0087 -0.5775 5.2494 3.6001 -2.0775 -3.6974 4.6398 5.4584 5.1442 -1.8505 -2.6974 -2.9244 5.8995 5.2181 4.6663 -4.8505 -5.6974 -5.9244 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 9 10 10 11 12 14 15 15 16 18 19 20 22 23 24 9 12 11 14 16 13 13 18 19 22 21 20 23 21 25 24 25 0 Compound Canonicalized 5 2010.09.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 542 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B380004000000000000000000000000016000000030600000000000000001D000001E02180000000C0E819E2232C692E30400AA0325725000920C0027274018B921B76FD80E67B3C5F7DB95B52867DC15D8E987BCF8AD8E206000080208180040C0001004103000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloro-2,4-dimethoxy-phenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(5-chloro-2,4-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1<I>H</I>-pyrazole-5-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloro-2,4-dimethoxy-phenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H20ClN3O5/c1-26-11-5-6-12(17(7-11)27-2)14-9-16(24-23-14)20(25)22-15-8-13(21)18(28-3)10-19(15)29-4/h5-10H,1-4H3,(H,22,25)(H,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HHKPAUHLSZWRAD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.1091484 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H20ClN3O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 94.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.1091484 29 0 0 0 0 0 0 0 1 -1