4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole

C5H6BrFN2 — CID 89046689

IUPAC4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(CF)c1Br
InChIInChI=1S/C5H6BrFN2/c1-3-5(6)4(2-7)9-8-3/h2H2,1H3,(H,8,9)
InChIKeyDMEDRJPSIZMWAR-UHFFFAOYSA-N
MW193.02 g/mol
LogP1.95
Rot. Bonds1

About 4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole

4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole (PubChem CID 89046689) has the molecular formula C5H6BrFN2 and a molecular weight of 193.02 g/mol. Its IUPAC name is 4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole
PubChem CID89046689
Molecular FormulaC5H6BrFN2
Molecular Weight193.02 g/mol
Exact Mass191.97
IUPAC Name4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(CF)c1Br
InChIInChI=1S/C5H6BrFN2/c1-3-5(6)4(2-7)9-8-3/h2H2,1H3,(H,8,9)
InChIKeyDMEDRJPSIZMWAR-UHFFFAOYSA-N
XLogP1.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.02
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole?
The IUPAC name of 4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole (CID 89046689) is 4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole is Cc1[nH]nc(CF)c1Br.
What is the InChIKey of 4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole?
The InChIKey is DMEDRJPSIZMWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrFN2/c1-3-5(6)4(2-7)9-8-3/h2H2,1H3,(H,8,9).
What are the key properties of 4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole?
4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole has a molecular weight of 193.02 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(fluoromethyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 89046689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).