N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C26H23F3N6OS — CID 19335934

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19335934) has the molecular formula C26H23F3N6OS and a molecular weight of 524.57 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19335934
• Molecular Formula: C26H23F3N6OS
• Molecular Weight: 524.57 g/mol
• Exact Mass: 524.16
• IUPAC Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4c(C)nn(Cc5ccccc5)c4C)cc3n2)s1
• InChI: InChI=1S/C26H23F3N6OS/c1-4-18-10-11-21(37-18)19-12-22(26(27,28)29)35-23(30-19)13-20(33-35)25(36)31-24-15(2)32-34(16(24)3)14-17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3,(H,31,36)
• InChIKey: FMHXZTVCJVCTKV-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.57
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19335934) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4c(C)nn(Cc5ccccc5)c4C)cc3n2)s1.

What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is FMHXZTVCJVCTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6OS/c1-4-18-10-11-21(37-18)19-12-22(26(27,28)29)35-23(30-19)13-20(33-35)25(36)31-24-15(2)32-34(16(24)3)14-17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3,(H,31,36).

What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 524.57 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19335934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).