46920274 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 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 1 1 2 2 3 3 4 4 5 6 6 6 7 7 7 8 9 9 9 10 11 11 12 13 14 14 15 15 17 17 18 19 20 21 21 22 22 23 24 25 25 25 26 26 26 27 27 27 28 28 28 13 25 19 26 18 27 23 28 16 8 11 31 15 16 32 10 10 13 14 12 12 16 29 17 20 30 19 21 18 33 20 22 34 24 35 23 36 24 37 38 39 40 41 42 43 44 45 46 47 48 49 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 2 1 2 1 1 1 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 49 5.6959 6.1591 7.428 2.9945 6.7469 7.928 5.3457 8.237 7.428 7.428 6.928 6.619 6.5619 8.294 4.7579 6.3402 6.5619 7.428 5.1646 8.294 3.7634 4.5768 3.5823 3.1756 4.8299 6.5659 8.294 2 6.0293 8.8309 8.2924 5.0935 6.025 8.8309 3.5112 4.829 2.559 4.5199 4.293 5.1399 7.1323 6.818 5.9995 7.984 8.8309 8.604 1.9352 1.3834 2.0648 -1.4897 3.5807 -4.4897 4.9897 2.7717 1.0491 1.7536 0.0981 -1.4897 -0.4897 1.0491 0.0981 -1.9897 -1.9897 2.5626 1.8582 -2.9897 -3.4897 3.4762 -2.9897 2.4581 4.2852 4.1807 3.2671 -1.9897 4.4943 -4.9897 4.8852 -0.0935 -1.6797 1.5507 1.1872 -3.2997 -3.2997 1.8917 4.8516 3.2023 -1.4528 -2.2997 -2.5266 4.2421 5.0607 4.7464 -5.5266 -5.2997 -4.4528 5.5018 4.8204 4.2686 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 9 9 10 11 13 14 15 15 17 18 19 21 22 23 8 11 10 13 14 12 12 17 20 19 21 18 20 22 24 23 24 0 Compound Canonicalized 5 2010.09.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 508 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 00000371E07B380000000000000000000000000000016000000030600000000000000001D000001E00180000000C0C819E0232C692E30400AA0325725000920C0027220018B921B76CD80E67B2C4F5DB95B52867DC15D8E987BCF8AD8E20400008000810004080001000102000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,3-bis(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,3-bis(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>,3-bis(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,3-bis(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,3-bis(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,3-bis(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H21N3O5/c1-25-12-5-7-14(18(9-12)27-3)16-11-17(23-22-16)20(24)21-15-8-6-13(26-2)10-19(15)28-4/h5-11H,1-4H3,(H,21,24)(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LJRMZFRYIMZEDL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.14812078 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H21N3O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)NC3=C(C=C(C=C3)OC)OC)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=C(C=C(C=C3)OC)OC)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 2021.05.07 383.14812078 28 0 0 0 0 0 0 0 1 -1