1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole

C13H15FN2S — CID 141134024

IUPAC1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole
SMILESCSC(C)(C)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN2S/c1-13(2,17-3)12-8-9-16(15-12)11-6-4-10(14)5-7-11/h4-9H,1-3H3
InChIKeySRPBHHOTMYFPHL-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.61
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole

1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole (PubChem CID 141134024) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole
PubChem CID141134024
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole
SMILESCSC(C)(C)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN2S/c1-13(2,17-3)12-8-9-16(15-12)11-6-4-10(14)5-7-11/h4-9H,1-3H3
InChIKeySRPBHHOTMYFPHL-UHFFFAOYSA-N
XLogP3.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)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 1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole (CID 141134024) is 1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole is CSC(C)(C)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole?
The InChIKey is SRPBHHOTMYFPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-13(2,17-3)12-8-9-16(15-12)11-6-4-10(14)5-7-11/h4-9H,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole?
1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole has a molecular weight of 250.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methylsulfanylpropan-2-yl)pyrazole is sourced from PubChem (CID 141134024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).