2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine

C9H9FN4 — CID 89032520

IUPAC2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine
SMILESCc1c(F)c(-c2ncccn2)nn1C
InChIInChI=1S/C9H9FN4/c1-6-7(10)8(13-14(6)2)9-11-4-3-5-12-9/h3-5H,1-2H3
InChIKeyYXGCHQHZZBQRBS-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.32
Rot. Bonds1

About 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine

2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine (PubChem CID 89032520) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine
PubChem CID89032520
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine
SMILESCc1c(F)c(-c2ncccn2)nn1C
InChIInChI=1S/C9H9FN4/c1-6-7(10)8(13-14(6)2)9-11-4-3-5-12-9/h3-5H,1-2H3
InChIKeyYXGCHQHZZBQRBS-UHFFFAOYSA-N
XLogP1.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluoro-1,5-dimethylpyrazol-3-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 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine?
The IUPAC name of 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine (CID 89032520) is 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine is Cc1c(F)c(-c2ncccn2)nn1C.
What is the InChIKey of 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine?
The InChIKey is YXGCHQHZZBQRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c1-6-7(10)8(13-14(6)2)9-11-4-3-5-12-9/h3-5H,1-2H3.
What are the key properties of 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine?
2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine has a molecular weight of 192.20 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 89032520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).