N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H18F3N5OS2 — CID 3133857

About N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3133857) has the molecular formula C20H18F3N5OS2 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 3133857
• Molecular Formula: C20H18F3N5OS2
• Molecular Weight: 465.53 g/mol
• Exact Mass: 465.09
• IUPAC Name: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCc1c(C)sc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2cccs2)N3)c1C#N
• InChI: InChI=1S/C20H18F3N5OS2/c1-3-11-10(2)31-19(12(11)9-24)26-18(29)14-8-17-25-13(15-5-4-6-30-15)7-16(20(21,22)23)28(17)27-14/h4-6,8,13,16,25H,3,7H2,1-2H3,(H,26,29)
• InChIKey: TUPVXPRELFTDSZ-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 82.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.53
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3133857) is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1c(C)sc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2cccs2)N3)c1C#N.

What is the InChIKey of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is TUPVXPRELFTDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5OS2/c1-3-11-10(2)31-19(12(11)9-24)26-18(29)14-8-17-25-13(15-5-4-6-30-15)7-16(20(21,22)23)28(17)27-14/h4-6,8,13,16,25H,3,7H2,1-2H3,(H,26,29).

What are the key properties of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3133857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).