N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid

C49H55N11O7 — CID 159561046

About N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid

N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid (PubChem CID 159561046) has the molecular formula C49H55N11O7 and a molecular weight of 910.05 g/mol. Its IUPAC name is N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid.

Molecular Properties

• Compound Name: N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid
• PubChem CID: 159561046
• Molecular Formula: C49H55N11O7
• Molecular Weight: 910.05 g/mol
• Exact Mass: 909.43
• IUPAC Name: N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid
• SMILES: CC1(C)CC2(CC2)C(=O)c2[nH]c3ccc(C(=O)NC4CCCC4)cc3c21.CC1(C)CC2(CC2)C(=O)c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ncn[nH]5)C4)cc3c21.O=C(O)c1ncn[nH]1
• InChI: InChI=1S/C24H26N6O3.C22H26N2O2.C3H3N3O2/c1-23(2)11-24(6-7-24)19(31)18-17(23)15-9-13(3-4-16(15)28-18)21(32)27-14-5-8-30(10-14)22(33)20-25-12-26-29-20;1-21(2)12-22(9-10-22)19(25)18-17(21)15-11-13(7-8-16(15)24-18)20(26)23-14-5-3-4-6-14;7-3(8)2-4-1-5-6-2/h3-4,9,12,14,28H,5-8,10-11H2,1-2H3,(H,27,32)(H,25,26,29);7-8,11,14,24H,3-6,9-10,12H2,1-2H3,(H,23,26);1H,(H,7,8)(H,4,5,6)
• InChIKey: MGPWJDNDIPTNRV-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 264.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	910.05
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid?

The IUPAC name of N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid (CID 159561046) is N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid.

What is the SMILES notation for N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid?

The canonical SMILES for N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid is CC1(C)CC2(CC2)C(=O)c2[nH]c3ccc(C(=O)NC4CCCC4)cc3c21.CC1(C)CC2(CC2)C(=O)c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ncn[nH]5)C4)cc3c21.O=C(O)c1ncn[nH]1.

What is the InChIKey of N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid?

The InChIKey is MGPWJDNDIPTNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3.C22H26N2O2.C3H3N3O2/c1-23(2)11-24(6-7-24)19(31)18-17(23)15-9-13(3-4-16(15)28-18)21(32)27-14-5-8-30(10-14)22(33)20-25-12-26-29-20;1-21(2)12-22(9-10-22)19(25)18-17(21)15-11-13(7-8-16(15)24-18)20(26)23-14-5-3-4-6-14;7-3(8)2-4-1-5-6-2/h3-4,9,12,14,28H,5-8,10-11H2,1-2H3,(H,27,32)(H,25,26,29);7-8,11,14,24H,3-6,9-10,12H2,1-2H3,(H,23,26);1H,(H,7,8)(H,4,5,6).

What are the key properties of N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid?

N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid has a molecular weight of 910.05 g/mol, XLogP of 6.56, 6 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide;1H-1,2,4-triazole-5-carboxylic acid is sourced from PubChem (CID 159561046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).