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

C27H38N4O3 — CID 22522328

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

N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 22522328) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 22522328
• Molecular Formula: C27H38N4O3
• Molecular Weight: 466.63 g/mol
• Exact Mass: 466.29
• IUPAC Name: N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: COc1ccccc1CN1C(=O)c2cc(C(C)C)nn2CC1(C)C(=O)NC1CCCCCCC1
• InChI: InChI=1S/C27H38N4O3/c1-19(2)22-16-23-25(32)30(17-20-12-10-11-15-24(20)34-4)27(3,18-31(23)29-22)26(33)28-21-13-8-6-5-7-9-14-21/h10-12,15-16,19,21H,5-9,13-14,17-18H2,1-4H3,(H,28,33)
• InChIKey: QAVNHOQKJIKFBD-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.63
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 22522328) is N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccccc1CN1C(=O)c2cc(C(C)C)nn2CC1(C)C(=O)NC1CCCCCCC1.

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

The InChIKey is QAVNHOQKJIKFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3/c1-19(2)22-16-23-25(32)30(17-20-12-10-11-15-24(20)34-4)27(3,18-31(23)29-22)26(33)28-21-13-8-6-5-7-9-14-21/h10-12,15-16,19,21H,5-9,13-14,17-18H2,1-4H3,(H,28,33).

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

N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 466.63 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 22522328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).