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

C10H8BrFN2 — CID 59022635

IUPAC3-bromo-1-(2-fluorophenyl)-5-methylpyrazole
SMILESCc1cc(Br)nn1-c1ccccc1F
InChIInChI=1S/C10H8BrFN2/c1-7-6-10(11)13-14(7)9-5-3-2-4-8(9)12/h2-6H,1H3
InChIKeyMQXXHXJVNVHNQY-UHFFFAOYSA-N
MW255.09 g/mol
LogP3.08
Rot. Bonds1

About 3-bromo-1-(2-fluorophenyl)-5-methylpyrazole

3-bromo-1-(2-fluorophenyl)-5-methylpyrazole (PubChem CID 59022635) has the molecular formula C10H8BrFN2 and a molecular weight of 255.09 g/mol. Its IUPAC name is 3-bromo-1-(2-fluorophenyl)-5-methylpyrazole.

Molecular Properties

Compound Name3-bromo-1-(2-fluorophenyl)-5-methylpyrazole
PubChem CID59022635
Molecular FormulaC10H8BrFN2
Molecular Weight255.09 g/mol
Exact Mass253.99
IUPAC Name3-bromo-1-(2-fluorophenyl)-5-methylpyrazole
SMILESCc1cc(Br)nn1-c1ccccc1F
InChIInChI=1S/C10H8BrFN2/c1-7-6-10(11)13-14(7)9-5-3-2-4-8(9)12/h2-6H,1H3
InChIKeyMQXXHXJVNVHNQY-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-fluorophenyl)-5-methylpyrazole?
The IUPAC name of 3-bromo-1-(2-fluorophenyl)-5-methylpyrazole (CID 59022635) is 3-bromo-1-(2-fluorophenyl)-5-methylpyrazole.
What is the SMILES notation for 3-bromo-1-(2-fluorophenyl)-5-methylpyrazole?
The canonical SMILES for 3-bromo-1-(2-fluorophenyl)-5-methylpyrazole is Cc1cc(Br)nn1-c1ccccc1F.
What is the InChIKey of 3-bromo-1-(2-fluorophenyl)-5-methylpyrazole?
The InChIKey is MQXXHXJVNVHNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2/c1-7-6-10(11)13-14(7)9-5-3-2-4-8(9)12/h2-6H,1H3.
What are the key properties of 3-bromo-1-(2-fluorophenyl)-5-methylpyrazole?
3-bromo-1-(2-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 3-bromo-1-(2-fluorophenyl)-5-methylpyrazole is sourced from PubChem (CID 59022635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).