3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole

C24H24N2O3S — CID 177441417

IUPAC3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
SMILESCOc1cccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(Cc3ccccc3)C2)c1
InChIInChI=1S/C24H24N2O3S/c1-18-11-13-23(14-12-18)30(27,28)26-21(15-19-7-4-3-5-8-19)17-24(25-26)20-9-6-10-22(16-20)29-2/h3-14,16,21H,15,17H2,1-2H3
InChIKeyDORFWVQKRWVTSI-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.41
Rot. Bonds6

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

3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole (PubChem CID 177441417) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
PubChem CID177441417
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
SMILESCOc1cccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(Cc3ccccc3)C2)c1
InChIInChI=1S/C24H24N2O3S/c1-18-11-13-23(14-12-18)30(27,28)26-21(15-19-7-4-3-5-8-19)17-24(25-26)20-9-6-10-22(16-20)29-2/h3-14,16,21H,15,17H2,1-2H3
InChIKeyDORFWVQKRWVTSI-UHFFFAOYSA-N
XLogP4.41
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3R)-3-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 96543179
4-[5-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
CID 119038156
3-(2,5-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 3704662
(3S)-5-(3-bromophenyl)-3-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 97070533
N-[3-[(3R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41043538
(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 1022183
(3R)-5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole
CID 1121415
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 3313964
3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 122155650
2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 4963246
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 101387033
5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 4080985

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole?
The IUPAC name of 3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole (CID 177441417) is 3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole?
The canonical SMILES for 3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole is COc1cccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(Cc3ccccc3)C2)c1.
What is the InChIKey of 3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole?
The InChIKey is DORFWVQKRWVTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-18-11-13-23(14-12-18)30(27,28)26-21(15-19-7-4-3-5-8-19)17-24(25-26)20-9-6-10-22(16-20)29-2/h3-14,16,21H,15,17H2,1-2H3.
What are the key properties of 3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole?
3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole has a molecular weight of 420.53 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole is sourced from PubChem (CID 177441417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).