5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole

C16H9BrClF3N2 — CID 10363697

IUPAC5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1Br
InChIInChI=1S/C16H9BrClF3N2/c17-15-13(16(19,20)21)14(10-6-8-11(18)9-7-10)22-23(15)12-4-2-1-3-5-12/h1-9H
InChIKeyBGJOTDRHLZEVOR-UHFFFAOYSA-N
MW401.61 g/mol
LogP5.97
Rot. Bonds2

About 5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole

5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole (PubChem CID 10363697) has the molecular formula C16H9BrClF3N2 and a molecular weight of 401.61 g/mol. Its IUPAC name is 5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole
PubChem CID10363697
Molecular FormulaC16H9BrClF3N2
Molecular Weight401.61 g/mol
Exact Mass399.96
IUPAC Name5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1Br
InChIInChI=1S/C16H9BrClF3N2/c17-15-13(16(19,20)21)14(10-6-8-11(18)9-7-10)22-23(15)12-4-2-1-3-5-12/h1-9H
InChIKeyBGJOTDRHLZEVOR-UHFFFAOYSA-N
XLogP5.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.61
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
CID 10431181
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 3864258
(E)-1-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]prop-2-en-1-one
CID 155814379
1-(4-chlorophenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3821841
4-(4-chlorophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 164611471
3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole
CID 146162070
5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
CID 13163603
5-bromo-3-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 123551348
3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline
CID 20852861
2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride
CID 21418346
1-(4-chlorophenyl)-3-(4-phenylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3887534

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole (CID 10363697) is 5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole is FC(F)(F)c1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole?
The InChIKey is BGJOTDRHLZEVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClF3N2/c17-15-13(16(19,20)21)14(10-6-8-11(18)9-7-10)22-23(15)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole?
5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole has a molecular weight of 401.61 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10363697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).