5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19F3N4OS — CID 19457724

IUPAC5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCS)c3n2)cc1
InChIInChI=1S/C19H19F3N4OS/c1-11(2)12-3-5-13(6-4-12)15-9-16(19(20,21)22)26-17(25-15)14(10-24-26)18(27)23-7-8-28/h3-6,9-11,28H,7-8H2,1-2H3,(H,23,27)
InChIKeyJFXARKSWTKJRLK-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.20
Rot. Bonds5

About 5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19457724) has the molecular formula C19H19F3N4OS and a molecular weight of 408.45 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19457724
Molecular FormulaC19H19F3N4OS
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCS)c3n2)cc1
InChIInChI=1S/C19H19F3N4OS/c1-11(2)12-3-5-13(6-4-12)15-9-16(19(20,21)22)26-17(25-15)14(10-24-26)18(27)23-7-8-28/h3-6,9-11,28H,7-8H2,1-2H3,(H,23,27)
InChIKeyJFXARKSWTKJRLK-UHFFFAOYSA-N
XLogP4.20
TPSA59.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-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

Related Compounds

N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457636
N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457700
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457818
N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457731
5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19456030
ethyl 5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 998722
N-(1,5-dimethylpyrazol-4-yl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457720
5-(4-fluorophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4261634
N-[2-[benzyl(methyl)amino]ethyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3262968
ethyl 4-[5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate
CID 19441568
N-[2-(difluoromethoxy)-4-methylphenyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457762
5-(1,3-benzodioxol-5-yl)-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981660

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19457724) is 5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCS)c3n2)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JFXARKSWTKJRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4OS/c1-11(2)12-3-5-13(6-4-12)15-9-16(19(20,21)22)26-17(25-15)14(10-24-26)18(27)23-7-8-28/h3-6,9-11,28H,7-8H2,1-2H3,(H,23,27).
What are the key properties of 5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19457724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).