46920278 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 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 1 1 2 2 3 3 4 5 5 5 6 6 6 7 8 8 8 9 10 10 11 12 13 13 14 14 16 16 17 18 19 20 20 21 21 22 22 23 24 24 24 25 25 25 26 26 26 27 27 27 12 25 19 24 17 27 15 7 10 30 14 15 32 9 9 12 13 11 11 15 28 16 18 29 19 20 17 31 18 33 21 22 34 23 35 23 36 37 26 38 39 40 41 42 43 44 45 46 47 48 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 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 46 47 48 4.5204 4.9836 6.2524 5.5714 6.7524 4.1701 7.0614 6.2524 6.2524 5.7524 5.4434 5.3864 7.1184 3.5823 5.1646 5.3864 6.2524 7.1184 3.989 2.5878 3.4013 2 2.4067 5.3903 3.6543 6.3848 7.1184 4.8537 7.6554 7.1168 4.8494 3.9179 7.6554 2.3356 3.6534 1.3834 2.0423 5.4336 4.7887 3.3443 3.1174 3.9643 6.4496 7.0014 6.32 6.8084 7.6554 7.4284 -1.2942 3.7762 -4.2942 2.9672 1.2446 1.9491 0.2935 -1.2942 -0.2942 1.2446 0.2935 -1.7942 -1.7942 2.7581 2.0536 -2.7942 -3.2942 -2.7942 3.6716 2.6536 4.4807 3.4626 4.3761 4.6897 -1.7942 4.7942 -4.7942 0.1019 -1.4842 1.7462 -3.1042 1.3827 -3.1042 2.0872 5.0471 3.3978 4.8777 5.3082 4.8397 -1.2573 -2.1042 -2.3312 4.1776 4.8591 5.4108 -5.3312 -5.1043 -4.2573 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 8 8 9 10 12 13 14 14 16 17 19 20 21 22 7 10 9 12 13 11 11 16 18 19 20 17 18 21 22 23 23 0 Compound Canonicalized 5 2010.09.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 478 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 00000371E07B380000000000000000000000000000016000000030600000000000000001D000001E00180000000C0CA19E0232C692E30400AA0325725000920C0027220018B921B76CD80E67B2C4F5DB97BD28E7DC15D8E9879CF8AD8E20000008000810004000001000102000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2,4-dimethoxyphenyl)-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2,4-dimethoxyphenyl)-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2,4-dimethoxyphenyl)-<I>N</I>-(2-ethoxyphenyl)-1<I>H</I>-pyrazole-5-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2,4-dimethoxyphenyl)-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2,4-dimethoxyphenyl)-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2,4-dimethoxyphenyl)-N-o-phenetyl-1H-pyrazole-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H21N3O4/c1-4-27-18-8-6-5-7-15(18)21-20(24)17-12-16(22-23-17)14-10-9-13(25-2)11-19(14)26-3/h5-12H,4H2,1-3H3,(H,21,24)(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 TXTIDMLGCITRGJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.15320616 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H21N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC=CC=C1NC(=O)C2=CC(=NN2)C3=C(C=C(C=C3)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC=CC=C1NC(=O)C2=CC(=NN2)C3=C(C=C(C=C3)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 2021.05.07 367.15320616 27 0 0 0 0 0 0 0 1 -1