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

C24H24N2O2S — CID 122155670

IUPAC3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
SMILESCc1ccc(S(=O)(=O)N2N=C(c3ccccc3C)CC2c2ccccc2C)cc1
InChIInChI=1S/C24H24N2O2S/c1-17-12-14-20(15-13-17)29(27,28)26-24(22-11-7-5-9-19(22)3)16-23(25-26)21-10-6-4-8-18(21)2/h4-15,24H,16H2,1-3H3
InChIKeyAUGKWKCHABCRMX-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.15
Rot. Bonds4

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

3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole (PubChem CID 122155670) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
PubChem CID122155670
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
SMILESCc1ccc(S(=O)(=O)N2N=C(c3ccccc3C)CC2c2ccccc2C)cc1
InChIInChI=1S/C24H24N2O2S/c1-17-12-14-20(15-13-17)29(27,28)26-24(22-11-7-5-9-19(22)3)16-23(25-26)21-10-6-4-8-18(21)2/h4-15,24H,16H2,1-3H3
InChIKeyAUGKWKCHABCRMX-UHFFFAOYSA-N
XLogP5.15
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 3703807
N-[4-[2-(4-fluorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 2984709
4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
CID 71844173
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 41038498
(3S)-2-(benzenesulfonyl)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazole
CID 7377538
N-[4-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 41043485
N-[3-[(3S)-2-(4-fluorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41043581
5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 51701428
2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 86807968
(3S)-5-(3-bromophenyl)-3-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 97070533
3-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-2-chloroquinoline
CID 51967938

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole?
The IUPAC name of 3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole (CID 122155670) is 3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole.
What is the SMILES notation for 3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole?
The canonical SMILES for 3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole is Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3C)CC2c2ccccc2C)cc1.
What is the InChIKey of 3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole?
The InChIKey is AUGKWKCHABCRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-17-12-14-20(15-13-17)29(27,28)26-24(22-11-7-5-9-19(22)3)16-23(25-26)21-10-6-4-8-18(21)2/h4-15,24H,16H2,1-3H3.
What are the key properties of 3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole?
3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole has a molecular weight of 404.54 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole is sourced from PubChem (CID 122155670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).