5-(4-fluorophenyl)-1,3-dimethylpyrazole

C11H11FN2 — CID 11206282

IUPAC5-(4-fluorophenyl)-1,3-dimethylpyrazole
SMILESCc1cc(-c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C11H11FN2/c1-8-7-11(14(2)13-8)9-3-5-10(12)6-4-9/h3-7H,1-2H3
InChIKeyVLDKNBJBPFACAF-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.53
Rot. Bonds1

About 5-(4-fluorophenyl)-1,3-dimethylpyrazole

5-(4-fluorophenyl)-1,3-dimethylpyrazole (PubChem CID 11206282) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,3-dimethylpyrazole
PubChem CID11206282
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name5-(4-fluorophenyl)-1,3-dimethylpyrazole
SMILESCc1cc(-c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C11H11FN2/c1-8-7-11(14(2)13-8)9-3-5-10(12)6-4-9/h3-7H,1-2H3
InChIKeyVLDKNBJBPFACAF-UHFFFAOYSA-N
XLogP2.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-fluorophenyl)-1,3-dimethylpyrazole 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 5-(4-fluorophenyl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(4-fluorophenyl)-1,3-dimethylpyrazole (CID 11206282) is 5-(4-fluorophenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-1,3-dimethylpyrazole is Cc1cc(-c2ccc(F)cc2)n(C)n1.
What is the InChIKey of 5-(4-fluorophenyl)-1,3-dimethylpyrazole?
The InChIKey is VLDKNBJBPFACAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-8-7-11(14(2)13-8)9-3-5-10(12)6-4-9/h3-7H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-1,3-dimethylpyrazole?
5-(4-fluorophenyl)-1,3-dimethylpyrazole has a molecular weight of 190.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 11206282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).