5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide

C58H63N11O6S2 — CID 159186856

About 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide

5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide (PubChem CID 159186856) has the molecular formula C58H63N11O6S2 and a molecular weight of 1074.35 g/mol. Its IUPAC name is 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide.

Molecular Properties

• Compound Name: 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
• PubChem CID: 159186856
• Molecular Formula: C58H63N11O6S2
• Molecular Weight: 1074.35 g/mol
• Exact Mass: 1073.44
• IUPAC Name: 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
• SMILES: CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCS(=O)(=O)CC4)cc3c21.CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCSCC4)cc3c21.CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)O)cc3c21
• InChI: InChI=1S/C21H24N4O3S.C21H24N4OS.C16H15N3O2/c1-21(2)10-13-11-22-25-18(13)19-17(21)15-9-12(3-4-16(15)24-19)20(26)23-14-5-7-29(27,28)8-6-14;1-21(2)10-13-11-22-25-18(13)19-17(21)15-9-12(3-4-16(15)24-19)20(26)23-14-5-7-27-8-6-14;1-16(2)6-9-7-17-19-13(9)14-12(16)10-5-8(15(20)21)3-4-11(10)18-14/h3-4,9,11,14,24H,5-8,10H2,1-2H3,(H,22,25)(H,23,26);3-4,9,11,14,24H,5-8,10H2,1-2H3,(H,22,25)(H,23,26);3-5,7,18H,6H2,1-2H3,(H,17,19)(H,20,21)
• InChIKey: KNPDLDYHVWECNB-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 263.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1074.35
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide?

The IUPAC name of 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide (CID 159186856) is 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide.

What is the SMILES notation for 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide?

The canonical SMILES for 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide is CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCS(=O)(=O)CC4)cc3c21.CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCSCC4)cc3c21.CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)O)cc3c21.

What is the InChIKey of 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide?

The InChIKey is KNPDLDYHVWECNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S.C21H24N4OS.C16H15N3O2/c1-21(2)10-13-11-22-25-18(13)19-17(21)15-9-12(3-4-16(15)24-19)20(26)23-14-5-7-29(27,28)8-6-14;1-21(2)10-13-11-22-25-18(13)19-17(21)15-9-12(3-4-16(15)24-19)20(26)23-14-5-7-27-8-6-14;1-16(2)6-9-7-17-19-13(9)14-12(16)10-5-8(15(20)21)3-4-11(10)18-14/h3-4,9,11,14,24H,5-8,10H2,1-2H3,(H,22,25)(H,23,26);3-4,9,11,14,24H,5-8,10H2,1-2H3,(H,22,25)(H,23,26);3-5,7,18H,6H2,1-2H3,(H,17,19)(H,20,21).

What are the key properties of 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide?

5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide has a molecular weight of 1074.35 g/mol, XLogP of 9.81, 5 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-(thian-4-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;N-(1,1-dioxothian-4-yl)-5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide is sourced from PubChem (CID 159186856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).