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

C23H23ClN4O3 — CID 95063271

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

(6R)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95063271) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is (6R)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 95063271
• Molecular Formula: C23H23ClN4O3
• Molecular Weight: 438.92 g/mol
• Exact Mass: 438.15
• IUPAC Name: (6R)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: COc1cccc(N2C(=O)c3cc(C)nn3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)c1
• InChI: InChI=1S/C23H23ClN4O3/c1-15-11-20-21(29)28(18-5-4-6-19(12-18)31-3)23(2,14-27(20)26-15)22(30)25-13-16-7-9-17(24)10-8-16/h4-12H,13-14H2,1-3H3,(H,25,30)/t23-/m1/s1
• InChIKey: HYCOJHOISZQNTE-HSZRJFAPSA-N
• XLogP: 3.59
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.92
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6R)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95063271) is (6R)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6R)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1cccc(N2C(=O)c3cc(C)nn3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)c1.

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

The InChIKey is HYCOJHOISZQNTE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-15-11-20-21(29)28(18-5-4-6-19(12-18)31-3)23(2,14-27(20)26-15)22(30)25-13-16-7-9-17(24)10-8-16/h4-12H,13-14H2,1-3H3,(H,25,30)/t23-/m1/s1.

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

(6R)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95063271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).