5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole

C15H18BrFN2 — CID 66041885

IUPAC5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole
SMILESCc1cc(CC(CBr)Cc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C15H18BrFN2/c1-11-7-15(19(2)18-11)9-13(10-16)8-12-3-5-14(17)6-4-12/h3-7,13H,8-10H2,1-2H3
InChIKeyONGCJMCOQVBQGW-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.66
Rot. Bonds5

About 5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole

5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole (PubChem CID 66041885) has the molecular formula C15H18BrFN2 and a molecular weight of 325.23 g/mol. Its IUPAC name is 5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole
PubChem CID66041885
Molecular FormulaC15H18BrFN2
Molecular Weight325.23 g/mol
Exact Mass324.06
IUPAC Name5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole
SMILESCc1cc(CC(CBr)Cc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C15H18BrFN2/c1-11-7-15(19(2)18-11)9-13(10-16)8-12-3-5-14(17)6-4-12/h3-7,13H,8-10H2,1-2H3
InChIKeyONGCJMCOQVBQGW-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole with MolForge

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

Launch Full Analysis

Related Compounds

CID 39425
CID 39425
CID 24825775
CID 24825775
CID 573288
CID 573288
CID 71814125
CID 71814125
CID 139119
CID 139119
CID 603765
CID 603765
CID 28373543
CID 28373543
CID 70693623
CID 70693623
CID 137947
CID 137947
CID 140517
CID 140517
CID 102184445
CID 102184445
CID 68935937
CID 68935937

Frequently Asked Questions

What is the IUPAC name of 5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole (CID 66041885) is 5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole is Cc1cc(CC(CBr)Cc2ccc(F)cc2)n(C)n1.
What is the InChIKey of 5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole?
The InChIKey is ONGCJMCOQVBQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2/c1-11-7-15(19(2)18-11)9-13(10-16)8-12-3-5-14(17)6-4-12/h3-7,13H,8-10H2,1-2H3.
What are the key properties of 5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole?
5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole has a molecular weight of 325.23 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 66041885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).