1-(3-bromo-2-fluorophenyl)-3-methylpyrazole

C10H8BrFN2 — CID 170648449

IUPAC1-(3-bromo-2-fluorophenyl)-3-methylpyrazole
SMILESCc1ccn(-c2cccc(Br)c2F)n1
InChIInChI=1S/C10H8BrFN2/c1-7-5-6-14(13-7)9-4-2-3-8(11)10(9)12/h2-6H,1H3
InChIKeyMFXJCYRFSLIQJO-UHFFFAOYSA-N
MW255.09 g/mol
LogP3.08
Rot. Bonds1

About 1-(3-bromo-2-fluorophenyl)-3-methylpyrazole

1-(3-bromo-2-fluorophenyl)-3-methylpyrazole (PubChem CID 170648449) has the molecular formula C10H8BrFN2 and a molecular weight of 255.09 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-3-methylpyrazole
PubChem CID170648449
Molecular FormulaC10H8BrFN2
Molecular Weight255.09 g/mol
Exact Mass253.99
IUPAC Name1-(3-bromo-2-fluorophenyl)-3-methylpyrazole
SMILESCc1ccn(-c2cccc(Br)c2F)n1
InChIInChI=1S/C10H8BrFN2/c1-7-5-6-14(13-7)9-4-2-3-8(11)10(9)12/h2-6H,1H3
InChIKeyMFXJCYRFSLIQJO-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

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CID 114881485
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CID 62494293
1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 62487974
1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole
CID 141036229
3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 141068365
1-(3-bromo-2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid
CID 59436190
5-bromo-2-(3-methylpyrazol-1-yl)aniline
CID 62492609
1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole
CID 70790409
2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline
CID 113393421
5-fluoro-2-(3-methylpyrazol-1-yl)benzaldehyde
CID 62489155
2-(3-bromo-2-fluorophenyl)-N-methoxy-N,5-dimethylpyrazole-3-carboxamide
CID 164944306
ethane;3-methyl-1-phenylpyrazole
CID 91357840

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-3-methylpyrazole?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-3-methylpyrazole (CID 170648449) is 1-(3-bromo-2-fluorophenyl)-3-methylpyrazole.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-3-methylpyrazole?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-3-methylpyrazole is Cc1ccn(-c2cccc(Br)c2F)n1.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-3-methylpyrazole?
The InChIKey is MFXJCYRFSLIQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2/c1-7-5-6-14(13-7)9-4-2-3-8(11)10(9)12/h2-6H,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-3-methylpyrazole?
1-(3-bromo-2-fluorophenyl)-3-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-(3-bromo-2-fluorophenyl)-3-methylpyrazole is sourced from PubChem (CID 170648449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).