(6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C29H28N4O2 — CID 92739076

About (6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92739076) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is (6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92739076
• Molecular Formula: C29H28N4O2
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.22
• IUPAC Name: (6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: Cc1cc(C)cc(N2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)c1
• InChI: InChI=1S/C29H28N4O2/c1-20-14-21(2)16-24(15-20)33-27(34)26-17-25(23-12-8-5-9-13-23)31-32(26)19-29(33,3)28(35)30-18-22-10-6-4-7-11-22/h4-17H,18-19H2,1-3H3,(H,30,35)/t29-/m0/s1
• InChIKey: KSVNVAYLXAIRAY-LJAQVGFWSA-N
• XLogP: 4.90
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92739076) is (6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1cc(C)cc(N2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)c1.

What is the InChIKey of (6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is KSVNVAYLXAIRAY-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-20-14-21(2)16-24(15-20)33-27(34)26-17-25(23-12-8-5-9-13-23)31-32(26)19-29(33,3)28(35)30-18-22-10-6-4-7-11-22/h4-17H,18-19H2,1-3H3,(H,30,35)/t29-/m0/s1.

What are the key properties of (6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92739076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).