2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine

C8H4ClF3N4 — CID 90775494

IUPAC2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(Cl)nc1-n1cccn1
InChIInChI=1S/C8H4ClF3N4/c9-7-13-4-5(8(10,11)12)6(15-7)16-3-1-2-14-16/h1-4H
InChIKeyKQURLJZMIQCFIC-UHFFFAOYSA-N
MW248.60 g/mol
LogP2.33
Rot. Bonds1

About 2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine

2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 90775494) has the molecular formula C8H4ClF3N4 and a molecular weight of 248.60 g/mol. Its IUPAC name is 2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine
PubChem CID90775494
Molecular FormulaC8H4ClF3N4
Molecular Weight248.60 g/mol
Exact Mass248.01
IUPAC Name2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(Cl)nc1-n1cccn1
InChIInChI=1S/C8H4ClF3N4/c9-7-13-4-5(8(10,11)12)6(15-7)16-3-1-2-14-16/h1-4H
InChIKeyKQURLJZMIQCFIC-UHFFFAOYSA-N
XLogP2.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.60
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)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 2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine (CID 90775494) is 2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cnc(Cl)nc1-n1cccn1.
What is the InChIKey of 2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is KQURLJZMIQCFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4/c9-7-13-4-5(8(10,11)12)6(15-7)16-3-1-2-14-16/h1-4H.
What are the key properties of 2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine?
2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine has a molecular weight of 248.60 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 90775494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).