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

C16H10BrF3N2 — CID 44632703

IUPAC5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccc(-n2nccc2-c2ccccc2Br)cc1
InChIInChI=1S/C16H10BrF3N2/c17-14-4-2-1-3-13(14)15-9-10-21-22(15)12-7-5-11(6-8-12)16(18,19)20/h1-10H
InChIKeyALBNFVBYPDLYRC-UHFFFAOYSA-N
MW367.17 g/mol
LogP5.32
Rot. Bonds2

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

5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 44632703) has the molecular formula C16H10BrF3N2 and a molecular weight of 367.17 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID44632703
Molecular FormulaC16H10BrF3N2
Molecular Weight367.17 g/mol
Exact Mass366.00
IUPAC Name5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccc(-n2nccc2-c2ccccc2Br)cc1
InChIInChI=1S/C16H10BrF3N2/c17-14-4-2-1-3-13(14)15-9-10-21-22(15)12-7-5-11(6-8-12)16(18,19)20/h1-10H
InChIKeyALBNFVBYPDLYRC-UHFFFAOYSA-N
XLogP5.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.17
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
5-(4-Fluorophenyl)-1-phenyl-1H-pyrazole
CID 2768365
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline
CID 66560343
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoroaniline
CID 70692668
1,3-Diphenyl-1H-pyrazole
CID 613284
4-[5-(4-Bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 71727435
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 118736303
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]aniline
CID 118736304
4-bromo-N-[[1-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]aniline
CID 118736305
1-(4-bromophenyl)-5-phenyl-1H-1,2,3-triazole
CID 13949185
1,5-Diphenyl-1H-pyrazole
CID 613283
1-(4-(Trifluoromethyl)phenyl)-1H-pyrazole
CID 11218094

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 44632703) is 5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole is FC(F)(F)c1ccc(-n2nccc2-c2ccccc2Br)cc1.
What is the InChIKey of 5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is ALBNFVBYPDLYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2/c17-14-4-2-1-3-13(14)15-9-10-21-22(15)12-7-5-11(6-8-12)16(18,19)20/h1-10H.
What are the key properties of 5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole?
5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 367.17 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 44632703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).