potassium;carbanide;2-(3-chlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]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

C42H43Cl2KN8O3 — CID 159964497

About potassium;carbanide;2-(3-chlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]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-[2-(4-isocyanophenyl)acetyl]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 159964497) has the molecular formula C42H43Cl2KN8O3 and a molecular weight of 817.86 g/mol. Its IUPAC name is potassium;carbanide;2-(3-chlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]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-[2-(4-isocyanophenyl)acetyl]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: 159964497
• Molecular Formula: C42H43Cl2KN8O3
• Molecular Weight: 817.86 g/mol
• Exact Mass: 816.25
• IUPAC Name: potassium;carbanide;2-(3-chlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]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.NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CCCC21CC1.[C-]#[N+]c1ccc(CC(=O)N2Cc3c(C(N)=O)c(-c4cccc(Cl)c4)nn3C3(CC3)C2)cc1.[CH3-].[K+]
• InChI: InChI=1S/C24H20ClN5O2.C16H16ClN3O.CH4.CH3.K/c1-27-18-7-5-15(6-8-18)11-20(31)29-13-19-21(23(26)32)22(16-3-2-4-17(25)12-16)28-30(19)24(14-29)9-10-24;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;;;/h2-8,12H,9-11,13-14H2,(H2,26,32);1,3-4,9H,2,5-8H2,(H2,18,21);1H4;1H3;/q;;;-1;+1
• InChIKey: QMEFXIXDYALYGV-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 146.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.86
LogP ≤ 5	5.15
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-[2-(4-isocyanophenyl)acetyl]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-[2-(4-isocyanophenyl)acetyl]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 159964497) is potassium;carbanide;2-(3-chlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]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-[2-(4-isocyanophenyl)acetyl]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-[2-(4-isocyanophenyl)acetyl]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.NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CCCC21CC1.[C-]#[N+]c1ccc(CC(=O)N2Cc3c(C(N)=O)c(-c4cccc(Cl)c4)nn3C3(CC3)C2)cc1.[CH3-].[K+].

What is the InChIKey of potassium;carbanide;2-(3-chlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]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 QMEFXIXDYALYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2.C16H16ClN3O.CH4.CH3.K/c1-27-18-7-5-15(6-8-18)11-20(31)29-13-19-21(23(26)32)22(16-3-2-4-17(25)12-16)28-30(19)24(14-29)9-10-24;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;;;/h2-8,12H,9-11,13-14H2,(H2,26,32);1,3-4,9H,2,5-8H2,(H2,18,21);1H4;1H3;/q;;;-1;+1.

What are the key properties of potassium;carbanide;2-(3-chlorophenyl)-5-[2-(4-isocyanophenyl)acetyl]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-[2-(4-isocyanophenyl)acetyl]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 817.86 g/mol, XLogP of 5.15, 6 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-[2-(4-isocyanophenyl)acetyl]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 159964497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).