5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H13F3N4O2S — CID 1372070

IUPAC5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C19H13F3N4O2S/c1-29-15-7-3-2-5-12(15)25-18(27)11-10-23-26-16(19(20,21)22)9-13(24-17(11)26)14-6-4-8-28-14/h2-10H,1H3,(H,25,27)
InChIKeyWHDFSHANZMFHSZ-UHFFFAOYSA-N
MW418.40 g/mol
LogP4.98
Rot. Bonds4

About 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1372070) has the molecular formula C19H13F3N4O2S and a molecular weight of 418.40 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1372070
Molecular FormulaC19H13F3N4O2S
Molecular Weight418.40 g/mol
Exact Mass418.07
IUPAC Name5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C19H13F3N4O2S/c1-29-15-7-3-2-5-12(15)25-18(27)11-10-23-26-16(19(20,21)22)9-13(24-17(11)26)14-6-4-8-28-14/h2-10H,1H3,(H,25,27)
InChIKeyWHDFSHANZMFHSZ-UHFFFAOYSA-N
XLogP4.98
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1372070) is 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CSc1ccccc1NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12.
What is the InChIKey of 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WHDFSHANZMFHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2S/c1-29-15-7-3-2-5-12(15)25-18(27)11-10-23-26-16(19(20,21)22)9-13(24-17(11)26)14-6-4-8-28-14/h2-10H,1H3,(H,25,27).
What are the key properties of 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 418.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1372070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).