5-(5-chlorothiophen-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H18ClF3N6OS — CID 3606754

About 5-(5-chlorothiophen-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(5-chlorothiophen-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3606754) has the molecular formula C20H18ClF3N6OS and a molecular weight of 482.92 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(5-chlorothiophen-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 3606754
• Molecular Formula: C20H18ClF3N6OS
• Molecular Weight: 482.92 g/mol
• Exact Mass: 482.09
• IUPAC Name: 5-(5-chlorothiophen-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCn1cc(C(C)NC(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)c(C)n1
• InChI: InChI=1S/C20H18ClF3N6OS/c1-4-29-9-12(11(3)27-29)10(2)25-19(31)14-8-18-26-13(15-5-6-17(21)32-15)7-16(20(22,23)24)30(18)28-14/h5-10H,4H2,1-3H3,(H,25,31)
• InChIKey: HKVARLVUNBAURE-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.92
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3606754) is 5-(5-chlorothiophen-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(C(C)NC(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)c(C)n1.

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

The InChIKey is HKVARLVUNBAURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N6OS/c1-4-29-9-12(11(3)27-29)10(2)25-19(31)14-8-18-26-13(15-5-6-17(21)32-15)7-16(20(22,23)24)30(18)28-14/h5-10H,4H2,1-3H3,(H,25,31).

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

5-(5-chlorothiophen-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 482.92 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chlorothiophen-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3606754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).