4-bromo-1,3,5-tris(4-methylphenyl)pyrazole

C24H21BrN2 — CID 19586848

IUPAC4-bromo-1,3,5-tris(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2nn(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2Br)cc1
InChIInChI=1S/C24H21BrN2/c1-16-4-10-19(11-5-16)23-22(25)24(20-12-6-17(2)7-13-20)27(26-23)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyPEWCEVRELMHIDB-UHFFFAOYSA-N
MW417.35 g/mol
LogP6.89
Rot. Bonds3

About 4-bromo-1,3,5-tris(4-methylphenyl)pyrazole

4-bromo-1,3,5-tris(4-methylphenyl)pyrazole (PubChem CID 19586848) has the molecular formula C24H21BrN2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 4-bromo-1,3,5-tris(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1,3,5-tris(4-methylphenyl)pyrazole
PubChem CID19586848
Molecular FormulaC24H21BrN2
Molecular Weight417.35 g/mol
Exact Mass416.09
IUPAC Name4-bromo-1,3,5-tris(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2nn(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2Br)cc1
InChIInChI=1S/C24H21BrN2/c1-16-4-10-19(11-5-16)23-22(25)24(20-12-6-17(2)7-13-20)27(26-23)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyPEWCEVRELMHIDB-UHFFFAOYSA-N
XLogP6.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.35
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
1,3,5-tris(4-fluorophenyl)-4-methylpyrazole
CID 19587590
4-chloro-1-(3,5-dichlorophenyl)-3,5-bis(4-methylphenyl)pyrazole
CID 19587037
1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline
CID 20852536
4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole
CID 146162067
5-methyl-2-(4-methylphenyl)-3-phenylindazole
CID 177414447
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 4988708
1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3831748
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole
CID 17025513
4-bromo-1-[(4-methoxyphenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
CID 19586803

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3,5-tris(4-methylphenyl)pyrazole?
The IUPAC name of 4-bromo-1,3,5-tris(4-methylphenyl)pyrazole (CID 19586848) is 4-bromo-1,3,5-tris(4-methylphenyl)pyrazole.
What is the SMILES notation for 4-bromo-1,3,5-tris(4-methylphenyl)pyrazole?
The canonical SMILES for 4-bromo-1,3,5-tris(4-methylphenyl)pyrazole is Cc1ccc(-c2nn(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2Br)cc1.
What is the InChIKey of 4-bromo-1,3,5-tris(4-methylphenyl)pyrazole?
The InChIKey is PEWCEVRELMHIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2/c1-16-4-10-19(11-5-16)23-22(25)24(20-12-6-17(2)7-13-20)27(26-23)21-14-8-18(3)9-15-21/h4-15H,1-3H3.
What are the key properties of 4-bromo-1,3,5-tris(4-methylphenyl)pyrazole?
4-bromo-1,3,5-tris(4-methylphenyl)pyrazole has a molecular weight of 417.35 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3,5-tris(4-methylphenyl)pyrazole is sourced from PubChem (CID 19586848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).