71721511 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 8 8 8 7 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 6 6 6 7 7 8 8 9 11 11 11 13 13 13 14 14 14 10 13 10 12 5 7 11 9 12 24 25 8 12 9 10 15 16 17 18 14 19 20 21 22 23 1 1 2 2 1 1 1 2 1 1 1 2 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 4.4118 3.0106 3.1249 5.0929 5.9019 2.5896 4.2839 4.5929 5.5929 4.0051 5.0929 3.3328 3.824 4.2308 5.9573 4.4729 5.0929 5.7129 3.31 3.3934 4.7972 4.483 3.6644 2 2.7186 1.2694 0.2513 -2.6914 -1.992 -1.4042 -1.0441 -1.4042 -0.4531 -0.4531 0.3559 -2.992 -1.7132 2.0784 2.992 0.0484 -2.992 -3.612 -2.992 2.4251 1.6324 2.7398 3.5584 3.2442 -1.2357 -0.4376 8 8 8 8 8 4 4 5 7 8 5 7 9 8 9 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 244 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733000000000000000000000000000000160000000000000000000000000018000001E00180000000C08E19E062E8892480400AA0315F75C00900400278000105821A84C5800669840E4E91695884608004061C02700000800000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 5-carbamoyl-1-methyl-pyrazole-4-carboxylate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-carbamoyl-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 5-carbamoyl-1-methylpyrazole-4-carboxylate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 5-carbamoyl-1-methylpyrazole-4-carboxylate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 5-aminocarbonyl-1-methyl-pyrazole-4-carboxylate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-carbamoyl-1-methyl-pyrazole-4-carboxylic acid ethyl ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H11N3O3/c1-3-14-8(13)5-4-10-11(2)6(5)7(9)12/h4H,3H2,1-2H3,(H2,9,12) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XPBLRFVLSZIMHA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 197.08004122 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H11N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 197.19 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC(=O)C1=C(N(N=C1)C)C(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC(=O)C1=C(N(N=C1)C)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 87.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 197.08004122 14 0 0 0 0 0 0 0 1 -1