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

C10H6BrF3N2 — CID 2736431

IUPAC4-bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]nc(-c2ccccc2)c1Br
InChIInChI=1S/C10H6BrF3N2/c11-7-8(6-4-2-1-3-5-6)15-16-9(7)10(12,13)14/h1-5H,(H,15,16)
InChIKeyOBKUMDOWKMRFPB-UHFFFAOYSA-N
MW291.07 g/mol
LogP3.86
Rot. Bonds1

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

4-bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 2736431) has the molecular formula C10H6BrF3N2 and a molecular weight of 291.07 g/mol. Its IUPAC name is 4-bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID2736431
Molecular FormulaC10H6BrF3N2
Molecular Weight291.07 g/mol
Exact Mass289.97
IUPAC Name4-bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]nc(-c2ccccc2)c1Br
InChIInChI=1S/C10H6BrF3N2/c11-7-8(6-4-2-1-3-5-6)15-16-9(7)10(12,13)14/h1-5H,(H,15,16)
InChIKeyOBKUMDOWKMRFPB-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole (CID 2736431) is 4-bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]nc(-c2ccccc2)c1Br.
What is the InChIKey of 4-bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is OBKUMDOWKMRFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2/c11-7-8(6-4-2-1-3-5-6)15-16-9(7)10(12,13)14/h1-5H,(H,15,16).
What are the key properties of 4-bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
4-bromo-3-phenyl-5-(trifluoromethyl)-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-3-phenyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 2736431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).