4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C8H4ClF3N4 — CID 21267748

IUPAC4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESFC(F)(F)c1ccn(-c2nccc(Cl)n2)n1
InChIInChI=1S/C8H4ClF3N4/c9-6-1-3-13-7(14-6)16-4-2-5(15-16)8(10,11)12/h1-4H
InChIKeyGKVCIXHMCXVPFU-UHFFFAOYSA-N
MW248.60 g/mol
LogP2.33
Rot. Bonds1

About 4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 21267748) has the molecular formula C8H4ClF3N4 and a molecular weight of 248.60 g/mol. Its IUPAC name is 4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID21267748
Molecular FormulaC8H4ClF3N4
Molecular Weight248.60 g/mol
Exact Mass248.01
IUPAC Name4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESFC(F)(F)c1ccn(-c2nccc(Cl)n2)n1
InChIInChI=1S/C8H4ClF3N4/c9-6-1-3-13-7(14-6)16-4-2-5(15-16)8(10,11)12/h1-4H
InChIKeyGKVCIXHMCXVPFU-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 4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]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 4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 21267748) is 4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is FC(F)(F)c1ccn(-c2nccc(Cl)n2)n1.
What is the InChIKey of 4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is GKVCIXHMCXVPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4/c9-6-1-3-13-7(14-6)16-4-2-5(15-16)8(10,11)12/h1-4H.
What are the key properties of 4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]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 4-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 21267748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).