49792638 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 9 8 8 8 7 7 7 7 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 2 2 3 4 4 5 5 5 6 7 7 7 8 8 9 9 9 10 11 11 11 12 13 13 14 15 15 16 16 17 17 17 18 18 18 19 19 22 22 23 23 24 25 25 27 27 27 20 10 11 21 26 27 6 14 38 12 21 22 40 24 26 10 12 15 16 17 18 28 13 14 29 21 19 30 20 31 32 33 34 35 36 37 20 39 23 24 25 41 42 26 43 44 45 46 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 2 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 5.4641 3.732 3.3818 2.4319 5.9641 6.2731 4.783 4.0142 5.4641 4.5981 2.866 5.4641 4.6551 4.9641 6.3301 4.5981 2 2.866 6.3301 5.4641 4.3763 4.1953 3.2008 4.602 2.613 3.0197 2.8386 2.866 4.0654 6.8671 4.0611 2.31 1.4631 1.69 2.246 2.866 3.486 6.3285 6.8671 5.3997 2.9486 5.2186 1.9964 3.405 3.0908 2.2722 -5.7055 -2.7055 0.5378 4.792 -0.1667 -1.1177 1.5559 4.0875 -2.7055 -3.2055 -3.2055 -1.7055 -1.1177 -0.1667 -3.2055 -4.2055 -2.7055 -4.2055 -4.2055 -4.7055 0.6424 2.3649 2.2604 3.2785 3.0694 3.983 5.7055 -2.5855 -1.3093 -2.8955 -4.5155 -2.1686 -2.3955 -3.2424 -4.2055 -4.8255 -4.2055 0.3349 -4.5155 1.6207 1.694 3.3433 3.0046 5.4533 6.2719 5.9577 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 8 8 9 9 10 12 13 15 16 19 22 22 23 25 6 14 12 24 26 10 15 16 13 14 19 20 20 23 24 25 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 496 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB1000000000000000000000000000001600000003C400000000000000001F000001F00180000000C1CE19E0E3EC692EB1400AA0335775400928C2037322018F921BE7CD80C66F2C4F5DB96BD28E6DC11C8E987BCD8A18E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-fluoro-2-isopropoxy-phenyl)-N-(6-methoxy-3-pyridyl)-1H-pyrazole-5-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-fluoro-2-propan-2-yloxyphenyl)-<I>N</I>-(6-methoxypyridin-3-yl)-1<I>H</I>-pyrazole-5-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(6-methoxypyridin-3-yl)-1H-pyrazole-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-fluoranyl-2-propan-2-yloxy-phenyl)-N-(6-methoxypyridin-3-yl)-1H-pyrazole-5-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-fluoro-2-isopropoxy-phenyl)-N-(6-methoxy-3-pyridyl)-1H-pyrazole-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H19FN4O3/c1-11(2)27-17-8-12(20)4-6-14(17)15-9-16(24-23-15)19(25)22-13-5-7-18(26-3)21-10-13/h4-11H,1-3H3,(H,22,25)(H,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YJGIZMUOZBNLGK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.14411864 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H19FN4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)OC1=C(C=CC(=C1)F)C2=NNC(=C2)C(=O)NC3=CN=C(C=C3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)OC1=C(C=CC(=C1)F)C2=NNC(=C2)C(=O)NC3=CN=C(C=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 89.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.14411864 27 0 0 0 0 0 0 0 1 -1