5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole

C16H9BrF4N2 — CID 44632832

IUPAC5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESFc1ccc(-c2ccnn2-c2ccc(C(F)(F)F)cc2)c(Br)c1
InChIInChI=1S/C16H9BrF4N2/c17-14-9-11(18)3-6-13(14)15-7-8-22-23(15)12-4-1-10(2-5-12)16(19,20)21/h1-9H
InChIKeyCPYFTEBUFFFVLS-UHFFFAOYSA-N
MW385.16 g/mol
LogP5.46
Rot. Bonds2

About 5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole

5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 44632832) has the molecular formula C16H9BrF4N2 and a molecular weight of 385.16 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID44632832
Molecular FormulaC16H9BrF4N2
Molecular Weight385.16 g/mol
Exact Mass383.99
IUPAC Name5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESFc1ccc(-c2ccnn2-c2ccc(C(F)(F)F)cc2)c(Br)c1
InChIInChI=1S/C16H9BrF4N2/c17-14-9-11(18)3-6-13(14)15-7-8-22-23(15)12-4-1-10(2-5-12)16(19,20)21/h1-9H
InChIKeyCPYFTEBUFFFVLS-UHFFFAOYSA-N
XLogP5.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.16
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44542629
5-(4-Fluorophenyl)-1-phenyl-1H-pyrazole
CID 2768365
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoroaniline
CID 70692668
4-[5-(4-Bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 71727435
4-bromo-N-[[1-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]aniline
CID 118736305
1,5-Diphenyl-1H-pyrazole
CID 613283
4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 29078491
3-(4-bromo-2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 9978021
4-[(3R)-5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole
CID 57401181
4-[5-(4-Bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenyl-pyrazole
CID 71594538
3-(4-Bromophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 71600592
4-[5-(4-Bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 71727325

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 44632832) is 5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole is Fc1ccc(-c2ccnn2-c2ccc(C(F)(F)F)cc2)c(Br)c1.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is CPYFTEBUFFFVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF4N2/c17-14-9-11(18)3-6-13(14)15-7-8-22-23(15)12-4-1-10(2-5-12)16(19,20)21/h1-9H.
What are the key properties of 5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole?
5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 385.16 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 44632832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).