N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane

C32H41N5O4 — CID 163264399

About N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane

N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane (PubChem CID 163264399) has the molecular formula C32H41N5O4 and a molecular weight of 559.71 g/mol. Its IUPAC name is N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane
• PubChem CID: 163264399
• Molecular Formula: C32H41N5O4
• Molecular Weight: 559.71 g/mol
• Exact Mass: 559.32
• IUPAC Name: N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane
• SMILES: CC.CCCCN(CCC)C(=O)c1ccc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)c(C)c1
• InChI: InChI=1S/C30H35N5O4.C2H6/c1-6-8-16-34(15-7-2)30(37)22-9-11-23(20(3)17-22)32-29(36)24-19-28-31-14-13-25(35(28)33-24)21-10-12-26(38-4)27(18-21)39-5;1-2/h9-14,17-19H,6-8,15-16H2,1-5H3,(H,32,36);1-2H3
• InChIKey: NXCMTNJAZFODAV-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.71
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane?

The IUPAC name of N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane (CID 163264399) is N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane.

What is the SMILES notation for N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane?

The canonical SMILES for N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane is CC.CCCCN(CCC)C(=O)c1ccc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)c(C)c1.

What is the InChIKey of N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane?

The InChIKey is NXCMTNJAZFODAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O4.C2H6/c1-6-8-16-34(15-7-2)30(37)22-9-11-23(20(3)17-22)32-29(36)24-19-28-31-14-13-25(35(28)33-24)21-10-12-26(38-4)27(18-21)39-5;1-2/h9-14,17-19H,6-8,15-16H2,1-5H3,(H,32,36);1-2H3.

What are the key properties of N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane?

N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane has a molecular weight of 559.71 g/mol, XLogP of 6.65, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane is sourced from PubChem (CID 163264399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).