4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole

C10H6BrF3N2 — CID 61394933

IUPAC4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)c1cccc(-c2[nH]ncc2Br)c1
InChIInChI=1S/C10H6BrF3N2/c11-8-5-15-16-9(8)6-2-1-3-7(4-6)10(12,13)14/h1-5H,(H,15,16)
InChIKeyJYCKFZIQIULJLU-UHFFFAOYSA-N
MW291.07 g/mol
LogP3.86
Rot. Bonds1

About 4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole

4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole (PubChem CID 61394933) has the molecular formula C10H6BrF3N2 and a molecular weight of 291.07 g/mol. Its IUPAC name is 4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole
PubChem CID61394933
Molecular FormulaC10H6BrF3N2
Molecular Weight291.07 g/mol
Exact Mass289.97
IUPAC Name4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)c1cccc(-c2[nH]ncc2Br)c1
InChIInChI=1S/C10H6BrF3N2/c11-8-5-15-16-9(8)6-2-1-3-7(4-6)10(12,13)14/h1-5H,(H,15,16)
InChIKeyJYCKFZIQIULJLU-UHFFFAOYSA-N
XLogP3.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.07
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethanamine
CID 79484566
3,6-dihydro-2H-pyridin-1-yl-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methanone
CID 166348949
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149
2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one
CID 154521414
(E)-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
CID 6196335
4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 79557110
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine
CID 119006662
2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 151220334
8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine
CID 90695721
3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbaldehyde
CID 62111840

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole?
The IUPAC name of 4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole (CID 61394933) is 4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole is FC(F)(F)c1cccc(-c2[nH]ncc2Br)c1.
What is the InChIKey of 4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole?
The InChIKey is JYCKFZIQIULJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2/c11-8-5-15-16-9(8)6-2-1-3-7(4-6)10(12,13)14/h1-5H,(H,15,16).
What are the key properties of 4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole?
4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole has a molecular weight of 291.07 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 61394933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).