5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C20H10ClF3N4 — CID 11852031

IUPAC5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2c(C#Cc3cccnc3)cnn12
InChIInChI=1S/C20H10ClF3N4/c21-16-7-5-14(6-8-16)17-10-18(20(22,23)24)28-19(27-17)15(12-26-28)4-3-13-2-1-9-25-11-13/h1-2,5-12H
InChIKeyLZOHSNZKAPPUMB-UHFFFAOYSA-N
MW398.78 g/mol
LogP4.86
Rot. Bonds1

About 5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 11852031) has the molecular formula C20H10ClF3N4 and a molecular weight of 398.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID11852031
Molecular FormulaC20H10ClF3N4
Molecular Weight398.78 g/mol
Exact Mass398.05
IUPAC Name5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2c(C#Cc3cccnc3)cnn12
InChIInChI=1S/C20H10ClF3N4/c21-16-7-5-14(6-8-16)17-10-18(20(22,23)24)28-19(27-17)15(12-26-28)4-3-13-2-1-9-25-11-13/h1-2,5-12H
InChIKeyLZOHSNZKAPPUMB-UHFFFAOYSA-N
XLogP4.86
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.78
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 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-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 11852031) is 5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2c(C#Cc3cccnc3)cnn12.
What is the InChIKey of 5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is LZOHSNZKAPPUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF3N4/c21-16-7-5-14(6-8-16)17-10-18(20(22,23)24)28-19(27-17)15(12-26-28)4-3-13-2-1-9-25-11-13/h1-2,5-12H.
What are the key properties of 5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 398.78 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(2-pyridin-3-ylethynyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 11852031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).