1-(2-bromo-5-fluorophenyl)-5-methylpyrazole

C10H8BrFN2 — CID 172608601

IUPAC1-(2-bromo-5-fluorophenyl)-5-methylpyrazole
SMILESCc1ccnn1-c1cc(F)ccc1Br
InChIInChI=1S/C10H8BrFN2/c1-7-4-5-13-14(7)10-6-8(12)2-3-9(10)11/h2-6H,1H3
InChIKeyVPGYOLUZZXDKDA-UHFFFAOYSA-N
MW255.09 g/mol
LogP3.08
Rot. Bonds1

About 1-(2-bromo-5-fluorophenyl)-5-methylpyrazole

1-(2-bromo-5-fluorophenyl)-5-methylpyrazole (PubChem CID 172608601) has the molecular formula C10H8BrFN2 and a molecular weight of 255.09 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-5-methylpyrazole.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-5-methylpyrazole
PubChem CID172608601
Molecular FormulaC10H8BrFN2
Molecular Weight255.09 g/mol
Exact Mass253.99
IUPAC Name1-(2-bromo-5-fluorophenyl)-5-methylpyrazole
SMILESCc1ccnn1-c1cc(F)ccc1Br
InChIInChI=1S/C10H8BrFN2/c1-7-4-5-13-14(7)10-6-8(12)2-3-9(10)11/h2-6H,1H3
InChIKeyVPGYOLUZZXDKDA-UHFFFAOYSA-N
XLogP3.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.09
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen
CID 141178204
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CID 107641053
1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine
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1-(2-bromo-5-fluorophenyl)azepane
CID 84713262
2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 107640958
2-bromo-5-[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107638824
5-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]pyrazole
CID 57045899
N-[[3-(2-bromo-5-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107628574
1-(2-bromo-5-fluorophenyl)-5-propan-2-yltriazole-4-carboxylic acid
CID 107626220
3-bromo-5-(5-methylpyrazol-1-yl)aniline
CID 156812346
N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107639471
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine
CID 107628425

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-5-methylpyrazole?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-5-methylpyrazole (CID 172608601) is 1-(2-bromo-5-fluorophenyl)-5-methylpyrazole.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-5-methylpyrazole?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-5-methylpyrazole is Cc1ccnn1-c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-5-methylpyrazole?
The InChIKey is VPGYOLUZZXDKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2/c1-7-4-5-13-14(7)10-6-8(12)2-3-9(10)11/h2-6H,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-5-methylpyrazole?
1-(2-bromo-5-fluorophenyl)-5-methylpyrazole has a molecular weight of 255.09 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-5-methylpyrazole is sourced from PubChem (CID 172608601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).