5389109 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 7 7 7 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 2 2 3 3 4 4 4 5 5 5 6 6 6 7 8 8 10 10 11 12 13 13 14 14 15 15 16 17 17 17 3 9 23 7 11 12 25 5 7 10 6 18 19 8 20 21 9 9 12 11 13 14 22 15 24 16 26 16 17 27 28 29 30 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 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 8.052 6.0305 8.6356 5.3737 5.3737 6.2397 6.2397 7.1057 7.1057 4.6367 5.0418 8.052 3.6086 4.4469 2.9942 3.4162 2 5.1616 4.7631 6.6382 5.8412 8.2446 8.2446 3.3624 9.2556 4.7061 3.0541 2.0666 1.3836 1.9334 0.1565 -1.0106 0.9612 0.4612 1.4612 1.9612 -0.0388 1.4612 0.4612 -0.2059 -1.1137 1.7659 -0.0827 -1.9612 -0.9162 -1.8618 -0.8087 2.0438 1.3535 2.4361 2.4361 2.3552 -0.4329 0.4864 0.9612 -2.5244 -2.3651 -0.1923 -0.7421 -1.4251 8 8 8 8 8 8 10 10 11 13 14 15 11 13 14 15 16 16 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 609 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0730000000000000000000000000000000102000000204000000000000040000000001C00180000000C08C10004020002620000A003246644008000002000021828803000180800020081000000000080000880031000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H13N3/c1-8-2-5-12-11(6-8)10-4-3-9-7-15-17-13(9)14(10)16-12/h2,5-7,15,17H,3-4H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SZEHQATZZDBDHM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 223.110947427 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H13N3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 223.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=C3CCC4=CNNC4=C3N=C2C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=C3CCC4=CNNC4=C3N=C2C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 36.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 223.110947427 17 0 0 0 0 0 0 0 1 -1