2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole

C19H10ClF3N4S — CID 141155962

IUPAC2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole
SMILESCc1cc(-c2cc(C(F)(F)F)n3ncc(C#Cc4nccs4)c3n2)ccc1Cl
InChIInChI=1S/C19H10ClF3N4S/c1-11-8-12(2-4-14(11)20)15-9-16(19(21,22)23)27-18(26-15)13(10-25-27)3-5-17-24-6-7-28-17/h2,4,6-10H,1H3
InChIKeyWKKYTROQOZOTDZ-UHFFFAOYSA-N
MW418.83 g/mol
LogP5.23
Rot. Bonds1

About 2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole

2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole (PubChem CID 141155962) has the molecular formula C19H10ClF3N4S and a molecular weight of 418.83 g/mol. Its IUPAC name is 2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole
PubChem CID141155962
Molecular FormulaC19H10ClF3N4S
Molecular Weight418.83 g/mol
Exact Mass418.03
IUPAC Name2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole
SMILESCc1cc(-c2cc(C(F)(F)F)n3ncc(C#Cc4nccs4)c3n2)ccc1Cl
InChIInChI=1S/C19H10ClF3N4S/c1-11-8-12(2-4-14(11)20)15-9-16(19(21,22)23)27-18(26-15)13(10-25-27)3-5-17-24-6-7-28-17/h2,4,6-10H,1H3
InChIKeyWKKYTROQOZOTDZ-UHFFFAOYSA-N
XLogP5.23
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.83
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole 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 2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole?
The IUPAC name of 2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole (CID 141155962) is 2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole?
The canonical SMILES for 2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole is Cc1cc(-c2cc(C(F)(F)F)n3ncc(C#Cc4nccs4)c3n2)ccc1Cl.
What is the InChIKey of 2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole?
The InChIKey is WKKYTROQOZOTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N4S/c1-11-8-12(2-4-14(11)20)15-9-16(19(21,22)23)27-18(26-15)13(10-25-27)3-5-17-24-6-7-28-17/h2,4,6-10H,1H3.
What are the key properties of 2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole?
2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole has a molecular weight of 418.83 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(4-chloro-3-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-1,3-thiazole is sourced from PubChem (CID 141155962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).