(6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C24H31ClN4O2 — CID 92738853

About (6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738853) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is (6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92738853
• Molecular Formula: C24H31ClN4O2
• Molecular Weight: 442.99 g/mol
• Exact Mass: 442.21
• IUPAC Name: (6R)-5-(3-chlorophenyl)-N-cycloheptyl-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)NC1CCCCCC1)N(c1cccc(Cl)c1)C2=O
• InChI: InChI=1S/C24H31ClN4O2/c1-16(2)20-14-21-22(30)29(19-12-8-9-17(25)13-19)24(3,15-28(21)27-20)23(31)26-18-10-6-4-5-7-11-18/h8-9,12-14,16,18H,4-7,10-11,15H2,1-3H3,(H,26,31)/t24-/m1/s1
• InChIKey: YOUOTRDCYKYPKB-XMMPIXPASA-N
• XLogP: 4.92
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.99
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738853) is (6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6R)-5-(3-chlorophenyl)-N-cycloheptyl-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)NC1CCCCCC1)N(c1cccc(Cl)c1)C2=O.

What is the InChIKey of (6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is YOUOTRDCYKYPKB-XMMPIXPASA-N. The full InChI is InChI=1S/C24H31ClN4O2/c1-16(2)20-14-21-22(30)29(19-12-8-9-17(25)13-19)24(3,15-28(21)27-20)23(31)26-18-10-6-4-5-7-11-18/h8-9,12-14,16,18H,4-7,10-11,15H2,1-3H3,(H,26,31)/t24-/m1/s1.

What are the key properties of (6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6R)-5-(3-chlorophenyl)-N-cycloheptyl-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 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).