3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole

C19H18N2O2S — CID 19355595

IUPAC3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole
SMILESC=CCn1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C19H18N2O2S/c1-3-13-21-14-18(15-7-5-4-6-8-15)19(20-21)16-9-11-17(12-10-16)24(2,22)23/h3-12,14H,1,13H2,2H3
InChIKeyNAGZSUJGKPNDBG-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.81
Rot. Bonds5

About 3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole

3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole (PubChem CID 19355595) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole
PubChem CID19355595
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole
SMILESC=CCn1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C19H18N2O2S/c1-3-13-21-14-18(15-7-5-4-6-8-15)19(20-21)16-9-11-17(12-10-16)24(2,22)23/h3-12,14H,1,13H2,2H3
InChIKeyNAGZSUJGKPNDBG-UHFFFAOYSA-N
XLogP3.81
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole 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 3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole?
The IUPAC name of 3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole (CID 19355595) is 3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole is C=CCn1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole?
The InChIKey is NAGZSUJGKPNDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-3-13-21-14-18(15-7-5-4-6-8-15)19(20-21)16-9-11-17(12-10-16)24(2,22)23/h3-12,14H,1,13H2,2H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole?
3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole has a molecular weight of 338.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-4-phenyl-1-prop-2-enylpyrazole is sourced from PubChem (CID 19355595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).