2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine

C14H8ClF3N4 — CID 3512974

IUPAC2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C14H8ClF3N4/c15-10-7-19-22(8-10)13-20-11(9-4-2-1-3-5-9)6-12(21-13)14(16,17)18/h1-8H
InChIKeyGTYFTKIZYRPXOI-UHFFFAOYSA-N
MW324.69 g/mol
LogP4.00
Rot. Bonds2

About 2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine

2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine (PubChem CID 3512974) has the molecular formula C14H8ClF3N4 and a molecular weight of 324.69 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine
PubChem CID3512974
Molecular FormulaC14H8ClF3N4
Molecular Weight324.69 g/mol
Exact Mass324.04
IUPAC Name2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C14H8ClF3N4/c15-10-7-19-22(8-10)13-20-11(9-4-2-1-3-5-9)6-12(21-13)14(16,17)18/h1-8H
InChIKeyGTYFTKIZYRPXOI-UHFFFAOYSA-N
XLogP4.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.69
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine (CID 3512974) is 2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2ccccc2)nc(-n2cc(Cl)cn2)n1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is GTYFTKIZYRPXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4/c15-10-7-19-22(8-10)13-20-11(9-4-2-1-3-5-9)6-12(21-13)14(16,17)18/h1-8H.
What are the key properties of 2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine?
2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 324.69 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 3512974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).