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

C25H21F3N6O2S — CID 19410281

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

5-(5-ethylthiophen-2-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19410281) has the molecular formula C25H21F3N6O2S and a molecular weight of 526.54 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(5-ethylthiophen-2-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19410281
• Molecular Formula: C25H21F3N6O2S
• Molecular Weight: 526.54 g/mol
• Exact Mass: 526.14
• IUPAC Name: 5-(5-ethylthiophen-2-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cnn(Cc5cccc(OC)c5)c4)cc3n2)s1
• InChI: InChI=1S/C25H21F3N6O2S/c1-3-18-7-8-21(37-18)19-10-22(25(26,27)28)34-23(31-19)11-20(32-34)24(35)30-16-12-29-33(14-16)13-15-5-4-6-17(9-15)36-2/h4-12,14H,3,13H2,1-2H3,(H,30,35)
• InChIKey: FOHCGXFFJAWGSB-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.54
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-(5-ethylthiophen-2-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19410281) is 5-(5-ethylthiophen-2-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 5-(5-ethylthiophen-2-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cnn(Cc5cccc(OC)c5)c4)cc3n2)s1.

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

The InChIKey is FOHCGXFFJAWGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O2S/c1-3-18-7-8-21(37-18)19-10-22(25(26,27)28)34-23(31-19)11-20(32-34)24(35)30-16-12-29-33(14-16)13-15-5-4-6-17(9-15)36-2/h4-12,14H,3,13H2,1-2H3,(H,30,35).

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

5-(5-ethylthiophen-2-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 526.54 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-ethylthiophen-2-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19410281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).