4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine

C9H8ClFN4 — CID 134440289

IUPAC4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1nn(-c2cc(Cl)ncn2)c(C)c1F
InChIInChI=1S/C9H8ClFN4/c1-5-9(11)6(2)15(14-5)8-3-7(10)12-4-13-8/h3-4H,1-2H3
InChIKeyZBNKAASJNQUKCH-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.07
Rot. Bonds1

About 4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine

4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine (PubChem CID 134440289) has the molecular formula C9H8ClFN4 and a molecular weight of 226.64 g/mol. Its IUPAC name is 4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine
PubChem CID134440289
Molecular FormulaC9H8ClFN4
Molecular Weight226.64 g/mol
Exact Mass226.04
IUPAC Name4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1nn(-c2cc(Cl)ncn2)c(C)c1F
InChIInChI=1S/C9H8ClFN4/c1-5-9(11)6(2)15(14-5)8-3-7(10)12-4-13-8/h3-4H,1-2H3
InChIKeyZBNKAASJNQUKCH-UHFFFAOYSA-N
XLogP2.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-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-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine (CID 134440289) is 4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine is Cc1nn(-c2cc(Cl)ncn2)c(C)c1F.
What is the InChIKey of 4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine?
The InChIKey is ZBNKAASJNQUKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4/c1-5-9(11)6(2)15(14-5)8-3-7(10)12-4-13-8/h3-4H,1-2H3.
What are the key properties of 4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine?
4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine has a molecular weight of 226.64 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 134440289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).