5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole

C23H21BrN2O3S — CID 126842562

IUPAC5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H21BrN2O3S/c1-29-20-11-5-17(6-12-20)23-15-22(16-3-7-18(24)8-4-16)25-26(23)19-9-13-21(14-10-19)30(2,27)28/h3-14,23H,15H2,1-2H3
InChIKeyWHKVOHPPRYWKLJ-UHFFFAOYSA-N
MW485.40 g/mol
LogP5.22
Rot. Bonds5

About 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole

5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole (PubChem CID 126842562) has the molecular formula C23H21BrN2O3S and a molecular weight of 485.40 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
PubChem CID126842562
Molecular FormulaC23H21BrN2O3S
Molecular Weight485.40 g/mol
Exact Mass484.05
IUPAC Name5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H21BrN2O3S/c1-29-20-11-5-17(6-12-20)23-15-22(16-3-7-18(24)8-4-16)25-26(23)19-9-13-21(14-10-19)30(2,27)28/h3-14,23H,15H2,1-2H3
InChIKeyWHKVOHPPRYWKLJ-UHFFFAOYSA-N
XLogP5.22
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.40
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-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

4-[3-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 127035964
5-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 118855465
3,5-bis(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 71408472
3-(4-bromophenyl)-2-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3290155
disodium;[4-[(3S)-3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylazanide
CID 53362031
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 70518687
5-[(3S)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-2-phenyl-1,3-thiazole
CID 127048940
3-[4-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3284862
[4-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylidenehydrazine
CID 3375455
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole?
The IUPAC name of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole (CID 126842562) is 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole is COc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole?
The InChIKey is WHKVOHPPRYWKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3S/c1-29-20-11-5-17(6-12-20)23-15-22(16-3-7-18(24)8-4-16)25-26(23)19-9-13-21(14-10-19)30(2,27)28/h3-14,23H,15H2,1-2H3.
What are the key properties of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole?
5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole has a molecular weight of 485.40 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 126842562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).