5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C26H33ClN4O2 — CID 22522348

About 5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 22522348) has the molecular formula C26H33ClN4O2 and a molecular weight of 469.03 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 22522348
• Molecular Formula: C26H33ClN4O2
• Molecular Weight: 469.03 g/mol
• Exact Mass: 468.23
• IUPAC Name: 5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CC1(C(=O)NC2CCCCCCC2)Cn2nc(C3CC3)cc2C(=O)N1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C26H33ClN4O2/c1-26(25(33)28-21-7-5-3-2-4-6-8-21)17-31-23(15-22(29-31)19-11-12-19)24(32)30(26)16-18-9-13-20(27)14-10-18/h9-10,13-15,19,21H,2-8,11-12,16-17H2,1H3,(H,28,33)
• InChIKey: WJRWTKSBYRBRKK-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.03
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 22522348) is 5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC1(C(=O)NC2CCCCCCC2)Cn2nc(C3CC3)cc2C(=O)N1Cc1ccc(Cl)cc1.

What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is WJRWTKSBYRBRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O2/c1-26(25(33)28-21-7-5-3-2-4-6-8-21)17-31-23(15-22(29-31)19-11-12-19)24(32)30(26)16-18-9-13-20(27)14-10-18/h9-10,13-15,19,21H,2-8,11-12,16-17H2,1H3,(H,28,33).

What are the key properties of 5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 469.03 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 22522348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).