3-chloro-5-(3-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H16ClF3N6O2 — CID 19464315

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

3-chloro-5-(3-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19464315) has the molecular formula C23H16ClF3N6O2 and a molecular weight of 500.87 g/mol. Its IUPAC name is 3-chloro-5-(3-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-5-(3-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19464315
• Molecular Formula: C23H16ClF3N6O2
• Molecular Weight: 500.87 g/mol
• Exact Mass: 500.10
• IUPAC Name: 3-chloro-5-(3-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4nc5ccccc5n4C)c(Cl)c3n2)c1
• InChI: InChI=1S/C23H16ClF3N6O2/c1-32-16-9-4-3-8-14(16)29-22(32)30-21(34)19-18(24)20-28-15(12-6-5-7-13(10-12)35-2)11-17(23(25,26)27)33(20)31-19/h3-11H,1-2H3,(H,29,30,34)
• InChIKey: YFOBDBOORZLKTO-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.87
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-chloro-5-(3-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19464315) is 3-chloro-5-(3-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 3-chloro-5-(3-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4nc5ccccc5n4C)c(Cl)c3n2)c1.

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

The InChIKey is YFOBDBOORZLKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N6O2/c1-32-16-9-4-3-8-14(16)29-22(32)30-21(34)19-18(24)20-28-15(12-6-5-7-13(10-12)35-2)11-17(23(25,26)27)33(20)31-19/h3-11H,1-2H3,(H,29,30,34).

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

3-chloro-5-(3-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 500.87 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-(3-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19464315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).