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

C10H8BrFN2 — CID 59729458

IUPAC5-(4-bromo-2-fluorophenyl)-1-methylpyrazole
SMILESCn1nccc1-c1ccc(Br)cc1F
InChIInChI=1S/C10H8BrFN2/c1-14-10(4-5-13-14)8-3-2-7(11)6-9(8)12/h2-6H,1H3
InChIKeyHUNBYUUSCNSJEN-UHFFFAOYSA-N
MW255.09 g/mol
LogP2.99
Rot. Bonds1

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

5-(4-bromo-2-fluorophenyl)-1-methylpyrazole (PubChem CID 59729458) has the molecular formula C10H8BrFN2 and a molecular weight of 255.09 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-1-methylpyrazole
PubChem CID59729458
Molecular FormulaC10H8BrFN2
Molecular Weight255.09 g/mol
Exact Mass253.99
IUPAC Name5-(4-bromo-2-fluorophenyl)-1-methylpyrazole
SMILESCn1nccc1-c1ccc(Br)cc1F
InChIInChI=1S/C10H8BrFN2/c1-14-10(4-5-13-14)8-3-2-7(11)6-9(8)12/h2-6H,1H3
InChIKeyHUNBYUUSCNSJEN-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-1-methylpyrazole?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-1-methylpyrazole (CID 59729458) is 5-(4-bromo-2-fluorophenyl)-1-methylpyrazole.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-1-methylpyrazole?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-1-methylpyrazole is Cn1nccc1-c1ccc(Br)cc1F.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-1-methylpyrazole?
The InChIKey is HUNBYUUSCNSJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2/c1-14-10(4-5-13-14)8-3-2-7(11)6-9(8)12/h2-6H,1H3.
What are the key properties of 5-(4-bromo-2-fluorophenyl)-1-methylpyrazole?
5-(4-bromo-2-fluorophenyl)-1-methylpyrazole has a molecular weight of 255.09 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-1-methylpyrazole is sourced from PubChem (CID 59729458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).