(6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C24H31ClN4O2 — CID 92738785

About (6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738785) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is (6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92738785
• Molecular Formula: C24H31ClN4O2
• Molecular Weight: 442.99 g/mol
• Exact Mass: 442.21
• IUPAC Name: (6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CC(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C2=O
• InChI: InChI=1S/C24H31ClN4O2/c1-16(2)20-13-21-22(30)28(14-17-9-11-18(25)12-10-17)24(3,15-29(21)27-20)23(31)26-19-7-5-4-6-8-19/h9-13,16,19H,4-8,14-15H2,1-3H3,(H,26,31)/t24-/m1/s1
• InChIKey: SMKGAHJAPXLIIR-XMMPIXPASA-N
• XLogP: 4.52
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.99
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738785) is (6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C2=O.

What is the InChIKey of (6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is SMKGAHJAPXLIIR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H31ClN4O2/c1-16(2)20-13-21-22(30)28(14-17-9-11-18(25)12-10-17)24(3,15-29(21)27-20)23(31)26-19-7-5-4-6-8-19/h9-13,16,19H,4-8,14-15H2,1-3H3,(H,26,31)/t24-/m1/s1.

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

(6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 442.99 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).