3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H22ClF3N4O2 — CID 19464358

About 3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19464358) has the molecular formula C25H22ClF3N4O2 and a molecular weight of 502.92 g/mol. Its IUPAC name is 3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19464358
• Molecular Formula: C25H22ClF3N4O2
• Molecular Weight: 502.92 g/mol
• Exact Mass: 502.14
• IUPAC Name: 3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCC(NC(=O)c1nn2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc2c1Cl)c1ccc(C)cc1
• InChI: InChI=1S/C25H22ClF3N4O2/c1-4-18(15-10-8-14(2)9-11-15)31-24(34)22-21(26)23-30-19(16-6-5-7-17(12-16)35-3)13-20(25(27,28)29)33(23)32-22/h5-13,18H,4H2,1-3H3,(H,31,34)
• InChIKey: DIQOKVSPHOBRPQ-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.92
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19464358) is 3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCC(NC(=O)c1nn2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc2c1Cl)c1ccc(C)cc1.

What is the InChIKey of 3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is DIQOKVSPHOBRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF3N4O2/c1-4-18(15-10-8-14(2)9-11-15)31-24(34)22-21(26)23-30-19(16-6-5-7-17(12-16)35-3)13-20(25(27,28)29)33(23)32-22/h5-13,18H,4H2,1-3H3,(H,31,34).

What are the key properties of 3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 502.92 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19464358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).