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'}

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Related Compounds

5-[2-[(4-bromophenyl)methyl]-3-chloropropyl]-1,3-dimethylpyrazole
CID 66036167
1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene
CID 79452753
1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
CID 105077036
[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane
CID 106324188
[2-(2,5-dimethylpyrazol-3-yl)-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105211624
5-[3-bromo-2-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
CID 79454162
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115811618
1-bromo-3-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-5-fluorobenzene
CID 79711815
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 81270125
3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
CID 79440857
1-(2-bromo-3,4-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 107538733
1-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-2-chloro-4-fluorobenzene
CID 66042283

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).