5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole

C15H10BrFN2 — CID 44632704

IUPAC5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole
SMILESFc1ccc(-c2ccnn2-c2ccccc2)c(Br)c1
InChIInChI=1S/C15H10BrFN2/c16-14-10-11(17)6-7-13(14)15-8-9-18-19(15)12-4-2-1-3-5-12/h1-10H
InChIKeyWAXYGYAWTHJNCA-UHFFFAOYSA-N
MW317.16 g/mol
LogP4.44
Rot. Bonds2

About 5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole

5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole (PubChem CID 44632704) has the molecular formula C15H10BrFN2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole
PubChem CID44632704
Molecular FormulaC15H10BrFN2
Molecular Weight317.16 g/mol
Exact Mass316.00
IUPAC Name5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole
SMILESFc1ccc(-c2ccnn2-c2ccccc2)c(Br)c1
InChIInChI=1S/C15H10BrFN2/c16-14-10-11(17)6-7-13(14)15-8-9-18-19(15)12-4-2-1-3-5-12/h1-10H
InChIKeyWAXYGYAWTHJNCA-UHFFFAOYSA-N
XLogP4.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-Fluorophenyl)-1-phenyl-1H-pyrazole
CID 2768365
(5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene]
CID 155540268
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoroaniline
CID 70692668
1,3-Diphenyl-1H-pyrazole
CID 613284
1-(4-bromo-2-methylphenyl)-1H-pyrazole
CID 75422432
1-(3-bromophenyl)-5-methyl-1H-pyrazole
CID 53415542
1H-Pyrazole, 5-(4-bromophenyl)-1,3-diphenyl-
CID 11372268
4-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-3-(4-fluorophenyl)-1-phenylpyrazole
CID 57394185
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

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole (CID 44632704) is 5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole is Fc1ccc(-c2ccnn2-c2ccccc2)c(Br)c1.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole?
The InChIKey is WAXYGYAWTHJNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2/c16-14-10-11(17)6-7-13(14)15-8-9-18-19(15)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole?
5-(2-bromo-4-fluorophenyl)-1-phenylpyrazole has a molecular weight of 317.16 g/mol, XLogP of 4.44, 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-phenylpyrazole is sourced from PubChem (CID 44632704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).