4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole

C13H14BrFN2 — CID 66436383

IUPAC4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole
SMILESCCCc1c(CBr)cnn1-c1ccc(F)cc1
InChIInChI=1S/C13H14BrFN2/c1-2-3-13-10(8-14)9-16-17(13)12-6-4-11(15)5-7-12/h4-7,9H,2-3,8H2,1H3
InChIKeyFNGAMAISPUYQBD-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.86
Rot. Bonds4

About 4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole

4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole (PubChem CID 66436383) has the molecular formula C13H14BrFN2 and a molecular weight of 297.17 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole
PubChem CID66436383
Molecular FormulaC13H14BrFN2
Molecular Weight297.17 g/mol
Exact Mass296.03
IUPAC Name4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole
SMILESCCCc1c(CBr)cnn1-c1ccc(F)cc1
InChIInChI=1S/C13H14BrFN2/c1-2-3-13-10(8-14)9-16-17(13)12-6-4-11(15)5-7-12/h4-7,9H,2-3,8H2,1H3
InChIKeyFNGAMAISPUYQBD-UHFFFAOYSA-N
XLogP3.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole 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-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole?
The IUPAC name of 4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole (CID 66436383) is 4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole.
What is the SMILES notation for 4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole?
The canonical SMILES for 4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole is CCCc1c(CBr)cnn1-c1ccc(F)cc1.
What is the InChIKey of 4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole?
The InChIKey is FNGAMAISPUYQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2/c1-2-3-13-10(8-14)9-16-17(13)12-6-4-11(15)5-7-12/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole?
4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole has a molecular weight of 297.17 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole is sourced from PubChem (CID 66436383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).