(6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C28H41N5O2 — CID 92738915

About (6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738915) has the molecular formula C28H41N5O2 and a molecular weight of 479.67 g/mol. Its IUPAC name is (6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92738915
• Molecular Formula: C28H41N5O2
• Molecular Weight: 479.67 g/mol
• Exact Mass: 479.33
• IUPAC Name: (6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(CCN(CC)CC)C3=O)cc1
• InChI: InChI=1S/C28H41N5O2/c1-5-21-13-15-22(16-14-21)24-19-25-26(34)32(18-17-31(6-2)7-3)28(4,20-33(25)30-24)27(35)29-23-11-9-8-10-12-23/h13-16,19,23H,5-12,17-18,20H2,1-4H3,(H,29,35)/t28-/m0/s1
• InChIKey: LGNWGCWLMAAIJL-NDEPHWFRSA-N
• XLogP: 4.12
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.67
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738915) is (6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(CCN(CC)CC)C3=O)cc1.

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

The InChIKey is LGNWGCWLMAAIJL-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H41N5O2/c1-5-21-13-15-22(16-14-21)24-19-25-26(34)32(18-17-31(6-2)7-3)28(4,20-33(25)30-24)27(35)29-23-11-9-8-10-12-23/h13-16,19,23H,5-12,17-18,20H2,1-4H3,(H,29,35)/t28-/m0/s1.

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

(6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 479.67 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).