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

C26H36N4O3 — CID 92738746

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

(6R)-2-tert-butyl-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738746) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is (6R)-2-tert-butyl-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-2-tert-butyl-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92738746
• Molecular Formula: C26H36N4O3
• Molecular Weight: 452.60 g/mol
• Exact Mass: 452.28
• IUPAC Name: (6R)-2-tert-butyl-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCOc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1
• InChI: InChI=1S/C26H36N4O3/c1-6-33-20-14-12-19(13-15-20)30-23(31)21-16-22(25(2,3)4)28-29(21)17-26(30,5)24(32)27-18-10-8-7-9-11-18/h12-16,18H,6-11,17H2,1-5H3,(H,27,32)/t26-/m1/s1
• InChIKey: WTCFMRJFEXAEDV-AREMUKBSSA-N
• XLogP: 4.45
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.60
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6R)-2-tert-butyl-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738746) is (6R)-2-tert-butyl-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6R)-2-tert-butyl-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCOc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1.

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

The InChIKey is WTCFMRJFEXAEDV-AREMUKBSSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-6-33-20-14-12-19(13-15-20)30-23(31)21-16-22(25(2,3)4)28-29(21)17-26(30,5)24(32)27-18-10-8-7-9-11-18/h12-16,18H,6-11,17H2,1-5H3,(H,27,32)/t26-/m1/s1.

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

(6R)-2-tert-butyl-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 452.60 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-tert-butyl-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).