4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine

C14H11F3N4 — CID 67562664

IUPAC4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine
SMILESFC(F)(F)C1=C(n2cc(-c3ccncn3)cn2)C=CCC1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)11-3-1-2-4-13(11)21-8-10(7-20-21)12-5-6-18-9-19-12/h2,4-9H,1,3H2
InChIKeyICKUBFARRYWLBO-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.46
Rot. Bonds2

About 4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine

4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine (PubChem CID 67562664) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine
PubChem CID67562664
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine
SMILESFC(F)(F)C1=C(n2cc(-c3ccncn3)cn2)C=CCC1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)11-3-1-2-4-13(11)21-8-10(7-20-21)12-5-6-18-9-19-12/h2,4-9H,1,3H2
InChIKeyICKUBFARRYWLBO-UHFFFAOYSA-N
XLogP3.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-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-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine?
The IUPAC name of 4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine (CID 67562664) is 4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine?
The canonical SMILES for 4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine is FC(F)(F)C1=C(n2cc(-c3ccncn3)cn2)C=CCC1.
What is the InChIKey of 4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine?
The InChIKey is ICKUBFARRYWLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)11-3-1-2-4-13(11)21-8-10(7-20-21)12-5-6-18-9-19-12/h2,4-9H,1,3H2.
What are the key properties of 4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine?
4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine has a molecular weight of 292.26 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 67562664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).