3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde

C11H9BrN2O — CID 43141306

IUPAC3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
SMILESCn1cc(C=O)c(-c2ccccc2Br)n1
InChIInChI=1S/C11H9BrN2O/c1-14-6-8(7-15)11(13-14)9-4-2-3-5-10(9)12/h2-7H,1H3
InChIKeyIAIPUZKMELNZPH-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.66
Rot. Bonds2

About 3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde

3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde (PubChem CID 43141306) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
PubChem CID43141306
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
SMILESCn1cc(C=O)c(-c2ccccc2Br)n1
InChIInChI=1S/C11H9BrN2O/c1-14-6-8(7-15)11(13-14)9-4-2-3-5-10(9)12/h2-7H,1H3
InChIKeyIAIPUZKMELNZPH-UHFFFAOYSA-N
XLogP2.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2063316
(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
1-benzyl-3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2446579
2-bromo-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]benzamide
CID 1225310
3-Phenyl-1-P-tolyl-1H-pyrazole-4-carbaldehyde
CID 3827316
1-benzyl-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2535163
3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 876753
2-(4-formyl-3-phenyl-1H-pyrazol-1-yl)acetic acid
CID 694133
3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde
CID 2973279
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carbaldehyde
CID 2063317
3-(4-fluorophenyl)-1-(4-methylbenzyl)-1H-pyrazole-4-carbaldehyde
CID 24748021

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde (CID 43141306) is 3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde is Cn1cc(C=O)c(-c2ccccc2Br)n1.
What is the InChIKey of 3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde?
The InChIKey is IAIPUZKMELNZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-14-6-8(7-15)11(13-14)9-4-2-3-5-10(9)12/h2-7H,1H3.
What are the key properties of 3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde?
3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde has a molecular weight of 265.11 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43141306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).