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

C16H9BrClF3N2 — CID 10431181

IUPAC5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1nn(-c2ccccc2)c(Br)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H9BrClF3N2/c17-15-13(10-6-8-11(18)9-7-10)14(16(19,20)21)22-23(15)12-4-2-1-3-5-12/h1-9H
InChIKeyPMPGMTSTSJGNHQ-UHFFFAOYSA-N
MW401.61 g/mol
LogP5.97
Rot. Bonds2

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

5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole (PubChem CID 10431181) has the molecular formula C16H9BrClF3N2 and a molecular weight of 401.61 g/mol. Its IUPAC name is 5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
PubChem CID10431181
Molecular FormulaC16H9BrClF3N2
Molecular Weight401.61 g/mol
Exact Mass399.96
IUPAC Name5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1nn(-c2ccccc2)c(Br)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H9BrClF3N2/c17-15-13(10-6-8-11(18)9-7-10)14(16(19,20)21)22-23(15)12-4-2-1-3-5-12/h1-9H
InChIKeyPMPGMTSTSJGNHQ-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

1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
CID 71384169
5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole
CID 10363697
4-(4-tert-butylphenyl)-5-fluoro-1-phenyl-3-(trifluoromethyl)pyrazole
CID 169097302
5-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 57364445
4-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)pyrazole-3-carbonitrile
CID 172842617
4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole
CID 10990409
4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
CID 19041362
4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560964
4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 135253333
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 141062484
5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
CID 13163603

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole (CID 10431181) is 5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole is FC(F)(F)c1nn(-c2ccccc2)c(Br)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is PMPGMTSTSJGNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClF3N2/c17-15-13(10-6-8-11(18)9-7-10)14(16(19,20)21)22-23(15)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole?
5-bromo-4-(4-chlorophenyl)-1-phenyl-3-(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-4-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10431181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).