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

C25H34N4O2 — CID 92738731

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

(6R)-5-benzyl-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738731) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is (6R)-5-benzyl-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-5-benzyl-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92738731
• Molecular Formula: C25H34N4O2
• Molecular Weight: 422.57 g/mol
• Exact Mass: 422.27
• IUPAC Name: (6R)-5-benzyl-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CC(C)(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccccc1)C2=O
• InChI: InChI=1S/C25H34N4O2/c1-24(2,3)21-15-20-22(30)28(16-18-11-7-5-8-12-18)25(4,17-29(20)27-21)23(31)26-19-13-9-6-10-14-19/h5,7-8,11-12,15,19H,6,9-10,13-14,16-17H2,1-4H3,(H,26,31)/t25-/m1/s1
• InChIKey: RUDQTCSFRIOMRX-RUZDIDTESA-N
• XLogP: 4.04
• 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	422.57
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (6R)-5-benzyl-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738731) is (6R)-5-benzyl-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6R)-5-benzyl-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC(C)(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccccc1)C2=O.

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

The InChIKey is RUDQTCSFRIOMRX-RUZDIDTESA-N. The full InChI is InChI=1S/C25H34N4O2/c1-24(2,3)21-15-20-22(30)28(16-18-11-7-5-8-12-18)25(4,17-29(20)27-21)23(31)26-19-13-9-6-10-14-19/h5,7-8,11-12,15,19H,6,9-10,13-14,16-17H2,1-4H3,(H,26,31)/t25-/m1/s1.

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

(6R)-5-benzyl-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-5-benzyl-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).