3-(bromomethyl)-1-(2-ethylphenyl)pyrazole

C12H13BrN2 — CID 84617468

IUPAC3-(bromomethyl)-1-(2-ethylphenyl)pyrazole
SMILESCCc1ccccc1-n1ccc(CBr)n1
InChIInChI=1S/C12H13BrN2/c1-2-10-5-3-4-6-12(10)15-8-7-11(9-13)14-15/h3-8H,2,9H2,1H3
InChIKeyZDDOSIRRUWANTR-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.33
Rot. Bonds3

About 3-(bromomethyl)-1-(2-ethylphenyl)pyrazole

3-(bromomethyl)-1-(2-ethylphenyl)pyrazole (PubChem CID 84617468) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 3-(bromomethyl)-1-(2-ethylphenyl)pyrazole.

Molecular Properties

Compound Name3-(bromomethyl)-1-(2-ethylphenyl)pyrazole
PubChem CID84617468
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name3-(bromomethyl)-1-(2-ethylphenyl)pyrazole
SMILESCCc1ccccc1-n1ccc(CBr)n1
InChIInChI=1S/C12H13BrN2/c1-2-10-5-3-4-6-12(10)15-8-7-11(9-13)14-15/h3-8H,2,9H2,1H3
InChIKeyZDDOSIRRUWANTR-UHFFFAOYSA-N
XLogP3.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.33
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

1-(2-ethylphenyl)-4-oxopyridazine-3-carboxylic acid
CID 63951805
3-(bromomethyl)-1-(2-methoxy-5-methylphenyl)pyrazole
CID 84617523
1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide
CID 64782828
3-(bromomethyl)-1-(4-propan-2-ylphenyl)pyrazole
CID 84617495
1-(2-ethylphenyl)-4-methylpyrazol-3-amine
CID 102942323
ethane;2-(3-ethylpyrazol-1-yl)pyrimidine
CID 143443415
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
3-[3-(bromomethyl)pyrazol-1-yl]benzoic acid
CID 84617491
1-(2-ethylphenyl)-4-formylpyrazole-3-carboxylic acid
CID 82130337
methyl 3-[3-(bromomethyl)pyrazol-1-yl]benzoate
CID 84617522
3-(bromomethyl)-1-propylpyrazole;hydrobromide
CID 126965597
[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
CID 118741514

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-(2-ethylphenyl)pyrazole?
The IUPAC name of 3-(bromomethyl)-1-(2-ethylphenyl)pyrazole (CID 84617468) is 3-(bromomethyl)-1-(2-ethylphenyl)pyrazole.
What is the SMILES notation for 3-(bromomethyl)-1-(2-ethylphenyl)pyrazole?
The canonical SMILES for 3-(bromomethyl)-1-(2-ethylphenyl)pyrazole is CCc1ccccc1-n1ccc(CBr)n1.
What is the InChIKey of 3-(bromomethyl)-1-(2-ethylphenyl)pyrazole?
The InChIKey is ZDDOSIRRUWANTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-2-10-5-3-4-6-12(10)15-8-7-11(9-13)14-15/h3-8H,2,9H2,1H3.
What are the key properties of 3-(bromomethyl)-1-(2-ethylphenyl)pyrazole?
3-(bromomethyl)-1-(2-ethylphenyl)pyrazole has a molecular weight of 265.15 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-(2-ethylphenyl)pyrazole is sourced from PubChem (CID 84617468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).