2827701 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 9 8 8 7 7 6 6 6 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 2 2 3 3 4 4 4 5 6 6 6 7 7 7 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 21 22 22 23 23 24 24 26 27 27 27 28 28 28 21 20 27 25 28 5 6 10 8 7 9 29 8 30 31 11 12 13 14 15 16 17 18 32 19 33 21 34 22 35 23 36 24 37 20 38 20 39 26 26 40 25 41 25 42 43 44 45 46 47 48 49 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 6 4 7 9 29 3 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 2.5352 5.6622 8.5133 4.8532 5.1622 5.6622 6.4712 6.1622 5.6622 3.9021 6.75 4.7962 6.5282 3.6942 3.159 7.7445 6.3432 4.7962 6.5282 5.6622 2.7431 2.2079 8.3323 6.931 7.9255 2 6.5282 9.5078 6.2146 6.7812 7.0376 4.2592 7.0652 4.155 3.2879 7.9967 5.7266 4.2592 7.0652 1.7472 8.9489 6.6788 1.4103 6.2182 7.0652 6.8382 9.443 10.1245 9.5727 -2.124 -4.1374 4.6374 0.4503 1.4014 -0.1375 0.4503 1.4014 -1.1374 0.1413 2.2104 -1.6374 -1.6374 -0.8368 0.8104 2.1059 3.1239 -2.6374 -2.6374 -3.1374 -1.1458 0.5014 2.9149 3.933 3.8284 -0.4767 -4.6374 4.5329 -0.4189 -0.0866 0.7025 -1.3274 -1.3274 -1.2517 1.4169 1.5395 3.1888 -2.9474 -2.9474 0.9163 2.8501 4.4994 -0.6683 -5.1744 -4.9474 -4.1005 3.9163 4.4681 5.1495 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 9 9 10 10 11 11 12 13 14 15 16 17 18 19 21 22 23 24 9 12 13 14 15 16 17 18 19 21 22 23 24 20 20 26 26 25 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 527 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B31000000000000000000000000000001000000003060C0000000000000015000001F00080000000C2CC1980E32C682000400A00324624000920C002122001888003E6C980C26A2C4B19B84302864C811C8E80790D0E30E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-2-pyrazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H21FN2O2/c1-27-20-10-6-16(7-11-20)22-15-23(17-8-12-21(28-2)13-9-17)26(25-22)19-5-3-4-18(24)14-19/h3-14,23H,15H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MNUAPQRCXNXUTB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.15870608 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H21FN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C2CC(=NN2C3=CC(=CC=C3)F)C4=CC=C(C=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C2CC(=NN2C3=CC(=CC=C3)F)C4=CC=C(C=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 34.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.15870608 28 1 0 1 0 0 0 0 1 -1