3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole

C18H20N2O2S — CID 102531502

IUPAC3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(C)C2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-4-8-16(9-5-13)18-12-15(3)20(19-18)23(21,22)17-10-6-14(2)7-11-17/h4-11,15H,12H2,1-3H3
InChIKeyGPQMDLALSXJZKG-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.49
Rot. Bonds3

About 3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole

3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole (PubChem CID 102531502) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
PubChem CID102531502
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(C)C2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-4-8-16(9-5-13)18-12-15(3)20(19-18)23(21,22)17-10-6-14(2)7-11-17/h4-11,15H,12H2,1-3H3
InChIKeyGPQMDLALSXJZKG-UHFFFAOYSA-N
XLogP3.49
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-2-(benzenesulfonyl)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazole
CID 7377538
(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 1022183
5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 3703807
(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 7407875
4-methyl-N'-[2-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]benzenesulfonohydrazide
CID 132570443
2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100661057
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 41038498
6-[2-(4-fluorophenyl)sulfonyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42956562
(3S)-3,4,4-trimethyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3H-pyrazole
CID 155937023
(3S)-5-(3-bromophenyl)-3-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 98257278
2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 4963246

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole?
The IUPAC name of 3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole (CID 102531502) is 3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole?
The canonical SMILES for 3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole is Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(C)C2)cc1.
What is the InChIKey of 3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole?
The InChIKey is GPQMDLALSXJZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-4-8-16(9-5-13)18-12-15(3)20(19-18)23(21,22)17-10-6-14(2)7-11-17/h4-11,15H,12H2,1-3H3.
What are the key properties of 3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole?
3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole has a molecular weight of 328.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole is sourced from PubChem (CID 102531502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).