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

C16H14ClF3N4OS — CID 1232645

IUPAC3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)CNC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl
InChIInChI=1S/C16H14ClF3N4OS/c1-8(2)7-21-15(25)13-12(17)14-22-9(10-4-3-5-26-10)6-11(16(18,19)20)24(14)23-13/h3-6,8H,7H2,1-2H3,(H,21,25)
InChIKeyCFRAUZXLVPOKTF-UHFFFAOYSA-N
MW402.83 g/mol
LogP4.52
Rot. Bonds4

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

3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1232645) has the molecular formula C16H14ClF3N4OS and a molecular weight of 402.83 g/mol. Its IUPAC name is 3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1232645
Molecular FormulaC16H14ClF3N4OS
Molecular Weight402.83 g/mol
Exact Mass402.05
IUPAC Name3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)CNC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl
InChIInChI=1S/C16H14ClF3N4OS/c1-8(2)7-21-15(25)13-12(17)14-22-9(10-4-3-5-26-10)6-11(16(18,19)20)24(14)23-13/h3-6,8H,7H2,1-2H3,(H,21,25)
InChIKeyCFRAUZXLVPOKTF-UHFFFAOYSA-N
XLogP4.52
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1232645) is 3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)CNC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CFRAUZXLVPOKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4OS/c1-8(2)7-21-15(25)13-12(17)14-22-9(10-4-3-5-26-10)6-11(16(18,19)20)24(14)23-13/h3-6,8H,7H2,1-2H3,(H,21,25).
What are the key properties of 3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 402.83 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1232645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).