4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole

C12H11FN2 — CID 89355432

IUPAC4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole
SMILESC=Cc1c(-c2ccc(F)cc2)n[nH]c1C
InChIInChI=1S/C12H11FN2/c1-3-11-8(2)14-15-12(11)9-4-6-10(13)7-5-9/h3-7H,1H2,2H3,(H,14,15)
InChIKeyRRAXXMIBDWMGLS-UHFFFAOYSA-N
MW202.23 g/mol
LogP3.17
Rot. Bonds2

About 4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole

4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole (PubChem CID 89355432) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole
PubChem CID89355432
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole
SMILESC=Cc1c(-c2ccc(F)cc2)n[nH]c1C
InChIInChI=1S/C12H11FN2/c1-3-11-8(2)14-15-12(11)9-4-6-10(13)7-5-9/h3-7H,1H2,2H3,(H,14,15)
InChIKeyRRAXXMIBDWMGLS-UHFFFAOYSA-N
XLogP3.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole 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-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole?
The IUPAC name of 4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole (CID 89355432) is 4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole is C=Cc1c(-c2ccc(F)cc2)n[nH]c1C.
What is the InChIKey of 4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole?
The InChIKey is RRAXXMIBDWMGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c1-3-11-8(2)14-15-12(11)9-4-6-10(13)7-5-9/h3-7H,1H2,2H3,(H,14,15).
What are the key properties of 4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole?
4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole has a molecular weight of 202.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-(4-fluorophenyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 89355432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).