46920354 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 17 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 6 6 6 7 7 7 8 9 9 9 10 11 11 12 12 13 14 16 16 16 17 18 19 19 20 20 21 22 23 24 25 25 25 26 26 26 27 27 27 28 28 28 21 14 26 17 27 23 28 15 12 15 30 8 11 33 10 10 14 19 13 13 15 17 18 29 20 18 21 25 22 31 24 32 23 34 22 35 24 36 37 38 39 40 41 42 43 44 45 46 47 48 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 2 1 1 1 2 1 1 1 1 2 1 2 1 2 1 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 4.6175 2.9945 2.8855 2.6324 6.3496 4.6175 6.2926 5.9836 4.3958 4.9836 5.4836 4.6175 4.6746 3.4013 5.4836 5.4836 3.7515 5.4836 4.8025 2.8135 4.6175 3.7515 3.2202 4.2147 6.3496 2 2.0195 3.0392 4.0849 4.0806 6.0205 5.4191 6.8822 2.1969 3.2146 4.4669 6.0396 6.8865 6.6596 1.9352 1.3834 2.0648 1.7095 1.4825 2.3295 3.6056 3.2913 2.4728 -5.5942 1.2356 -2.5942 4.6807 -1.5942 -1.5942 0.4936 1.4446 2.2536 1.4446 -0.0942 -2.5942 0.4936 2.1491 -1.0942 -4.0942 -3.0942 -3.0942 3.1672 2.9581 -4.5942 -4.0942 3.8717 3.9762 -4.5942 1.131 -3.0942 5.5942 0.302 -1.2842 -2.7842 3.232 0.302 2.8933 -4.4042 4.5426 -5.1312 -4.9042 -4.0573 1.7476 1.0662 0.5144 -2.5573 -3.4042 -3.6312 5.3421 6.1606 5.8464 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 9 9 10 11 12 12 14 16 16 17 19 20 21 23 8 11 10 14 19 13 13 17 18 20 18 21 22 24 23 22 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 526 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B380004000000000000000000000000016000000030600000000000000001D000001E02180000000C0E819E2232C692E30400AA0325725000920C0027270018B921B76ED80E67B2C5F7DB95B52867DC15D8E9879CF8AD8E20004049000910004000809200122000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-chloro-2-methoxy-5-methyl-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-(4-chloro-2-methoxy-5-methylphenyl)-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>-(4-chloro-2-methoxy-5-methylphenyl)-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-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-chloranyl-2-methoxy-5-methyl-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-(4-chloro-2-methoxy-5-methyl-phenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H20ClN3O4/c1-11-7-16(19(28-4)9-14(11)21)22-20(25)17-10-15(23-24-17)13-6-5-12(26-2)8-18(13)27-3/h5-10H,1-4H3,(H,22,25)(H,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WUZCYWPLSATCSK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 401.1142338 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H20ClN3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 401.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=C(C=C1Cl)OC)NC(=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 CC1=CC(=C(C=C1Cl)OC)NC(=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 2021.05.07 401.1142338 28 0 0 0 0 0 0 0 1 -1