(6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C27H32N4O2 — CID 92740936

About (6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92740936) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is (6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92740936
• Molecular Formula: C27H32N4O2
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.25
• IUPAC Name: (6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1
• InChI: InChI=1S/C27H32N4O2/c1-6-19-12-14-21(15-13-19)31-24(32)22-16-23(26(2,3)4)29-30(22)18-27(31,5)25(33)28-17-20-10-8-7-9-11-20/h7-16H,6,17-18H2,1-5H3,(H,28,33)/t27-/m0/s1
• InChIKey: CGUPTSGEUOAFHO-MHZLTWQESA-N
• XLogP: 4.48
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.58
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92740936) is (6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1.

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

The InChIKey is CGUPTSGEUOAFHO-MHZLTWQESA-N. The full InChI is InChI=1S/C27H32N4O2/c1-6-19-12-14-21(15-13-19)31-24(32)22-16-23(26(2,3)4)29-30(22)18-27(31,5)25(33)28-17-20-10-8-7-9-11-20/h7-16H,6,17-18H2,1-5H3,(H,28,33)/t27-/m0/s1.

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

(6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92740936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).