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

C10H6BrF3N2 — CID 57006466

IUPAC5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccccc1-n1nccc1Br
InChIInChI=1S/C10H6BrF3N2/c11-9-5-6-15-16(9)8-4-2-1-3-7(8)10(12,13)14/h1-6H
InChIKeyBQLZVOJFRVABAU-UHFFFAOYSA-N
MW291.07 g/mol
LogP3.65
Rot. Bonds1

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

5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole (PubChem CID 57006466) has the molecular formula C10H6BrF3N2 and a molecular weight of 291.07 g/mol. Its IUPAC name is 5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole
PubChem CID57006466
Molecular FormulaC10H6BrF3N2
Molecular Weight291.07 g/mol
Exact Mass289.97
IUPAC Name5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccccc1-n1nccc1Br
InChIInChI=1S/C10H6BrF3N2/c11-9-5-6-15-16(9)8-4-2-1-3-7(8)10(12,13)14/h1-6H
InChIKeyBQLZVOJFRVABAU-UHFFFAOYSA-N
XLogP3.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.07
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 115069424
4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 55062140
5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 82365365
[5-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769333
1,3-bis[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3895890
2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid
CID 82528037
5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
CID 23042140
1-[2-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 57416966
5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 141164267
5-tert-butyl-1-[2-(trifluoromethyl)phenyl]triazol-4-amine
CID 79507637
3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110458971
3-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3358435

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole (CID 57006466) is 5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole is FC(F)(F)c1ccccc1-n1nccc1Br.
What is the InChIKey of 5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is BQLZVOJFRVABAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2/c11-9-5-6-15-16(9)8-4-2-1-3-7(8)10(12,13)14/h1-6H.
What are the key properties of 5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole?
5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 291.07 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 57006466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).