N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C26H34N4O3 — CID 22522344

About N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 22522344) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 22522344
• Molecular Formula: C26H34N4O3
• Molecular Weight: 450.58 g/mol
• Exact Mass: 450.26
• IUPAC Name: N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: COc1cccc(N2C(=O)c3cc(C4CC4)nn3CC2(C)C(=O)NC2CCCCCCC2)c1
• InChI: InChI=1S/C26H34N4O3/c1-26(25(32)27-19-9-6-4-3-5-7-10-19)17-29-23(16-22(28-29)18-13-14-18)24(31)30(26)20-11-8-12-21(15-20)33-2/h8,11-12,15-16,18-19H,3-7,9-10,13-14,17H2,1-2H3,(H,27,32)
• InChIKey: WQQJEGXMNSEMCU-UHFFFAOYSA-N
• XLogP: 4.42
• 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	450.58
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 22522344) is N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1cccc(N2C(=O)c3cc(C4CC4)nn3CC2(C)C(=O)NC2CCCCCCC2)c1.

What is the InChIKey of N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is WQQJEGXMNSEMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-26(25(32)27-19-9-6-4-3-5-7-10-19)17-29-23(16-22(28-29)18-13-14-18)24(31)30(26)20-11-8-12-21(15-20)33-2/h8,11-12,15-16,18-19H,3-7,9-10,13-14,17H2,1-2H3,(H,27,32).

What are the key properties of N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 22522344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).