potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane

C40H52Cl2KN7O3 — CID 161309346

About potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane

potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane (PubChem CID 161309346) has the molecular formula C40H52Cl2KN7O3 and a molecular weight of 788.91 g/mol. Its IUPAC name is potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane.

Molecular Properties

• Compound Name: potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane
• PubChem CID: 161309346
• Molecular Formula: C40H52Cl2KN7O3
• Molecular Weight: 788.91 g/mol
• Exact Mass: 787.31
• IUPAC Name: potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane
• SMILES: C.C.CC(C)(C)CC(=O)N1Cc2c(C(N)=O)c(-c3cccc(Cl)c3)nn2C2(CC2)C1.NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CCCC21CC1.[CH3-].[K+]
• InChI: InChI=1S/C21H25ClN4O2.C16H16ClN3O.2CH4.CH3.K/c1-20(2,3)10-16(27)25-11-15-17(19(23)28)18(13-5-4-6-14(22)9-13)24-26(15)21(12-25)7-8-21;17-11-4-1-3-10(9-11)14-13(15(18)21)12-5-2-6-16(7-8-16)20(12)19-14;;;;/h4-6,9H,7-8,10-12H2,1-3H3,(H2,23,28);1,3-4,9H,2,5-8H2,(H2,18,21);2*1H4;1H3;/q;;;;-1;+1
• InChIKey: QPHKHRROXBMODS-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 142.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.91
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane?

The IUPAC name of potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane (CID 161309346) is potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane.

What is the SMILES notation for potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane?

The canonical SMILES for potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane is C.C.CC(C)(C)CC(=O)N1Cc2c(C(N)=O)c(-c3cccc(Cl)c3)nn2C2(CC2)C1.NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CCCC21CC1.[CH3-].[K+].

What is the InChIKey of potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane?

The InChIKey is QPHKHRROXBMODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2.C16H16ClN3O.2CH4.CH3.K/c1-20(2,3)10-16(27)25-11-15-17(19(23)28)18(13-5-4-6-14(22)9-13)24-26(15)21(12-25)7-8-21;17-11-4-1-3-10(9-11)14-13(15(18)21)12-5-2-6-16(7-8-16)20(12)19-14;;;;/h4-6,9H,7-8,10-12H2,1-3H3,(H2,23,28);1,3-4,9H,2,5-8H2,(H2,18,21);2*1H4;1H3;/q;;;;-1;+1.

What are the key properties of potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane?

potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane has a molecular weight of 788.91 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;carbanide;2-(3-chlorophenyl)-5-(3,3-dimethylbutanoyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3-carboxamide;2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3-carboxamide;methane is sourced from PubChem (CID 161309346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).