5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole

C16H15ClN2O2S — CID 70614054

IUPAC5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole
SMILESCS(=O)(=O)c1ccc(N2CC=C(c3ccc(Cl)cc3)N2)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-22(20,21)15-8-6-14(7-9-15)19-11-10-16(18-19)12-2-4-13(17)5-3-12/h2-10,18H,11H2,1H3
InChIKeyBZRQXLXNEUBJOK-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.11
Rot. Bonds3

About 5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole

5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole (PubChem CID 70614054) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole
PubChem CID70614054
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole
SMILESCS(=O)(=O)c1ccc(N2CC=C(c3ccc(Cl)cc3)N2)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-22(20,21)15-8-6-14(7-9-15)19-11-10-16(18-19)12-2-4-13(17)5-3-12/h2-10,18H,11H2,1H3
InChIKeyBZRQXLXNEUBJOK-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole?
The IUPAC name of 5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole (CID 70614054) is 5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole is CS(=O)(=O)c1ccc(N2CC=C(c3ccc(Cl)cc3)N2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole?
The InChIKey is BZRQXLXNEUBJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-22(20,21)15-8-6-14(7-9-15)19-11-10-16(18-19)12-2-4-13(17)5-3-12/h2-10,18H,11H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole?
5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole has a molecular weight of 334.83 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-1,3-dihydropyrazole is sourced from PubChem (CID 70614054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).