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

C27H32N4O3S — CID 46272539

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

N-cyclohexyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272539) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is N-cyclohexyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 46272539
• Molecular Formula: C27H32N4O3S
• Molecular Weight: 492.65 g/mol
• Exact Mass: 492.22
• IUPAC Name: N-cyclohexyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCOc1ccc(CN2C(=O)c3cc(-c4cccs4)nn3CC2(C)C(=O)NC2CCCCC2)cc1
• InChI: InChI=1S/C27H32N4O3S/c1-3-34-21-13-11-19(12-14-21)17-30-25(32)23-16-22(24-10-7-15-35-24)29-31(23)18-27(30,2)26(33)28-20-8-5-4-6-9-20/h7,10-16,20H,3-6,8-9,17-18H2,1-2H3,(H,28,33)
• InChIKey: WMIANCBXZDKOJG-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.65
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-cyclohexyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272539) is N-cyclohexyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for N-cyclohexyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCOc1ccc(CN2C(=O)c3cc(-c4cccs4)nn3CC2(C)C(=O)NC2CCCCC2)cc1.

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

The InChIKey is WMIANCBXZDKOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-3-34-21-13-11-19(12-14-21)17-30-25(32)23-16-22(24-10-7-15-35-24)29-31(23)18-27(30,2)26(33)28-20-8-5-4-6-9-20/h7,10-16,20H,3-6,8-9,17-18H2,1-2H3,(H,28,33).

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

N-cyclohexyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 492.65 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).