2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C24H31FN4O2 — CID 22522226

About 2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 22522226) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 22522226
• Molecular Formula: C24H31FN4O2
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.24
• IUPAC Name: 2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CC(C)(C)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(c1ccc(F)cc1)C2=O
• InChI: InChI=1S/C24H31FN4O2/c1-23(2,3)20-14-19-21(30)29(18-12-10-16(25)11-13-18)24(4,15-28(19)27-20)22(31)26-17-8-6-5-7-9-17/h10-14,17H,5-9,15H2,1-4H3,(H,26,31)
• InChIKey: KWWDSHZUAWIHKT-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.54
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of 2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 22522226) is 2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for 2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for 2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC(C)(C)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(c1ccc(F)cc1)C2=O.

What is the InChIKey of 2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is KWWDSHZUAWIHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-23(2,3)20-14-19-21(30)29(18-12-10-16(25)11-13-18)24(4,15-28(19)27-20)22(31)26-17-8-6-5-7-9-17/h10-14,17H,5-9,15H2,1-4H3,(H,26,31).

What are the key properties of 2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 22522226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).