5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole

C18H22N2O2S — CID 71129863

IUPAC5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole
SMILESCc1ccc(C2=CC(C)NN2C2C=CC(S(C)(=O)=O)=CC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13-4-6-15(7-5-13)18-12-14(2)19-20(18)16-8-10-17(11-9-16)23(3,21)22/h4-8,10-12,14,16,19H,9H2,1-3H3
InChIKeyJJOMYEMMCQZJEB-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.80
Rot. Bonds3

About 5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole

5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole (PubChem CID 71129863) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole.

Molecular Properties

Compound Name5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole
PubChem CID71129863
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole
SMILESCc1ccc(C2=CC(C)NN2C2C=CC(S(C)(=O)=O)=CC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13-4-6-15(7-5-13)18-12-14(2)19-20(18)16-8-10-17(11-9-16)23(3,21)22/h4-8,10-12,14,16,19H,9H2,1-3H3
InChIKeyJJOMYEMMCQZJEB-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(4-methoxyphenyl)sulfonylcyclohexa-2,4-dien-1-yl]oxyphenyl]sulfonyl-4-methylbenzene
CID 126710346
4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
4-[3-cyclohexa-1,5-dien-1-yl-4-(4-methylphenyl)phenyl]cyclohexa-1,5-diene-1-sulfonic acid
CID 160739499
4-methyl-N-[3-[3-[(4-methylcyclohexa-1,5-dien-1-yl)sulfonylamino]phenyl]sulfonylphenyl]benzenesulfonamide
CID 143289897
1-methyl-4-(4-methylcyclohexa-2,4-dien-1-yl)sulfonylbenzene
CID 13404328
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
1-cyclohexa-1,4-dien-1-ylsulfonyl-4-methylbenzene
CID 16754963
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
[(1S)-4-(4-methylphenyl)cyclohex-3-en-1-yl] methanesulfonate
CID 125489720
(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-7-phenyl-2,3-dihydroazepine
CID 155934670

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole?
The IUPAC name of 5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole (CID 71129863) is 5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole.
What is the SMILES notation for 5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole?
The canonical SMILES for 5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole is Cc1ccc(C2=CC(C)NN2C2C=CC(S(C)(=O)=O)=CC2)cc1.
What is the InChIKey of 5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole?
The InChIKey is JJOMYEMMCQZJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-4-6-15(7-5-13)18-12-14(2)19-20(18)16-8-10-17(11-9-16)23(3,21)22/h4-8,10-12,14,16,19H,9H2,1-3H3.
What are the key properties of 5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole?
5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole has a molecular weight of 330.45 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylphenyl)-2-(4-methylsulfonylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole is sourced from PubChem (CID 71129863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).