2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C27H35ClN6O3 — CID 46279078

About 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46279078) has the molecular formula C27H35ClN6O3 and a molecular weight of 527.07 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 46279078
• Molecular Formula: C27H35ClN6O3
• Molecular Weight: 527.07 g/mol
• Exact Mass: 526.25
• IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCN1C(=O)c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)nn2CC1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C27H35ClN6O3/c1-4-33-25(36)23-16-21(30-34(23)17-27(33,3)26(37)29-20-7-5-6-8-20)24(35)32-13-11-31(12-14-32)22-15-19(28)10-9-18(22)2/h9-10,15-16,20H,4-8,11-14,17H2,1-3H3,(H,29,37)
• InChIKey: NQHAWMSITIXQBQ-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 90.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.07
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46279078) is 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCN1C(=O)c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)nn2CC1(C)C(=O)NC1CCCC1.

What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is NQHAWMSITIXQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN6O3/c1-4-33-25(36)23-16-21(30-34(23)17-27(33,3)26(37)29-20-7-5-6-8-20)24(35)32-13-11-31(12-14-32)22-15-19(28)10-9-18(22)2/h9-10,15-16,20H,4-8,11-14,17H2,1-3H3,(H,29,37).

What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 527.07 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46279078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).