1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole

C18H18N2O2S — CID 19355934

IUPAC1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole
SMILESCCn1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C18H18N2O2S/c1-3-20-13-17(14-7-5-4-6-8-14)18(19-20)15-9-11-16(12-10-15)23(2,21)22/h4-13H,3H2,1-2H3
InChIKeyJJNXCCUFHOVMFM-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.64
Rot. Bonds4

About 1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole

1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole (PubChem CID 19355934) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole.

Molecular Properties

Compound Name1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole
PubChem CID19355934
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole
SMILESCCn1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C18H18N2O2S/c1-3-20-13-17(14-7-5-4-6-8-14)18(19-20)15-9-11-16(12-10-15)23(2,21)22/h4-13H,3H2,1-2H3
InChIKeyJJNXCCUFHOVMFM-UHFFFAOYSA-N
XLogP3.64
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole 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-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole?
The IUPAC name of 1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole (CID 19355934) is 1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole.
What is the SMILES notation for 1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole?
The canonical SMILES for 1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole is CCn1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole?
The InChIKey is JJNXCCUFHOVMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-20-13-17(14-7-5-4-6-8-14)18(19-20)15-9-11-16(12-10-15)23(2,21)22/h4-13H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole?
1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole has a molecular weight of 326.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methylsulfonylphenyl)-4-phenylpyrazole is sourced from PubChem (CID 19355934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).