5406463 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 7 7 7 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 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 8 10 10 11 12 13 13 14 14 15 15 16 3 9 22 8 11 12 23 5 8 10 6 17 18 7 19 20 9 12 9 11 13 14 21 15 24 16 25 16 26 27 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 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 7.0577 5.0363 7.6414 4.3795 4.3795 5.2455 6.1115 5.2455 6.1115 3.6425 4.0476 7.0577 2.6144 3.4527 2 2.422 4.1674 3.7689 5.644 4.847 7.2504 7.2504 8.2614 2.3683 3.7119 1.3836 2.0599 0.1565 -1.0106 0.9612 0.4612 1.4612 1.9612 1.4612 -0.0388 0.4612 -0.2059 -1.1137 1.7659 -0.0827 -1.9612 -0.9162 -1.8618 2.0438 1.3535 2.4361 2.4361 2.3552 -0.4329 0.9612 0.4864 -2.5244 -0.8496 -2.3651 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 2021.05.07 568 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 00000371C0730000000000000000000000000000000102000000204000000000000040000000001C00180000000C08C10004000002620000A003246644008000002000021828803000180800020081000000000080000880031000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 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 1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C13H11N3/c1-2-4-11-9(3-1)10-6-5-8-7-14-16-12(8)13(10)15-11/h1-4,7,14,16H,5-6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RCCZDPNFTSKCMW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 209.095297364 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C13H11N3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 209.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2=C3C=CC=CC3=NC2=C4C1=CNN4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2=C3C=CC=CC3=NC2=C4C1=CNN4 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 2021.05.07 209.095297364 16 0 0 0 0 0 0 0 1 -1