3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole

C23H17Br2ClN2 — CID 17025513

IUPAC3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole
SMILESCc1ccc(-n2nc(-c3ccc(Br)cc3)c(C)c2-c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C23H17Br2ClN2/c1-14-3-12-20(13-21(14)26)28-23(17-6-10-19(25)11-7-17)15(2)22(27-28)16-4-8-18(24)9-5-16/h3-13H,1-2H3
InChIKeyGDOQAWKCBHMDHN-UHFFFAOYSA-N
MW516.66 g/mol
LogP8.00
Rot. Bonds3

About 3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole

3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole (PubChem CID 17025513) has the molecular formula C23H17Br2ClN2 and a molecular weight of 516.66 g/mol. Its IUPAC name is 3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole.

Molecular Properties

Compound Name3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole
PubChem CID17025513
Molecular FormulaC23H17Br2ClN2
Molecular Weight516.66 g/mol
Exact Mass513.94
IUPAC Name3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole
SMILESCc1ccc(-n2nc(-c3ccc(Br)cc3)c(C)c2-c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C23H17Br2ClN2/c1-14-3-12-20(13-21(14)26)28-23(17-6-10-19(25)11-7-17)15(2)22(27-28)16-4-8-18(24)9-5-16/h3-13H,1-2H3
InChIKeyGDOQAWKCBHMDHN-UHFFFAOYSA-N
XLogP8.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.66
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole 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-chloro-1-(3-chloro-4-methylphenyl)-3,5-bis(4-fluorophenyl)pyrazole
CID 19587540
3,5-bis(4-bromophenyl)-1-(2-chlorophenyl)-4-methylpyrazole
CID 17025628
3-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3457758
4-chloro-1-(3-chloro-4-methylphenyl)-3,5-bis(3,4-dichlorophenyl)pyrazole
CID 17025515
1,3,5-tris(4-fluorophenyl)-4-methylpyrazole
CID 19587590
3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole
CID 17025660
3,5-bis(4-bromophenyl)-1-(2-ethylphenyl)-4-methylpyrazole
CID 19587237
4-bromo-1,3,5-tris(4-methylphenyl)pyrazole
CID 19586848
8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852730
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308207
3,5-bis(4-bromophenyl)-1-(3,4-dimethylphenyl)pyrazole
CID 19587087
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3859853

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole?
The IUPAC name of 3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole (CID 17025513) is 3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole.
What is the SMILES notation for 3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole?
The canonical SMILES for 3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole is Cc1ccc(-n2nc(-c3ccc(Br)cc3)c(C)c2-c2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole?
The InChIKey is GDOQAWKCBHMDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Br2ClN2/c1-14-3-12-20(13-21(14)26)28-23(17-6-10-19(25)11-7-17)15(2)22(27-28)16-4-8-18(24)9-5-16/h3-13H,1-2H3.
What are the key properties of 3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole?
3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole has a molecular weight of 516.66 g/mol, XLogP of 8.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole is sourced from PubChem (CID 17025513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).