5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde

C13H14N2O — CID 83821453

IUPAC5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde
SMILESCc1ccc(-c2cc(C=O)nn2C)c(C)c1
InChIInChI=1S/C13H14N2O/c1-9-4-5-12(10(2)6-9)13-7-11(8-16)14-15(13)3/h4-8H,1-3H3
InChIKeyWAJIWBGSNPNBJU-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.52
Rot. Bonds2

About 5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde

5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde (PubChem CID 83821453) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde
PubChem CID83821453
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde
SMILESCc1ccc(-c2cc(C=O)nn2C)c(C)c1
InChIInChI=1S/C13H14N2O/c1-9-4-5-12(10(2)6-9)13-7-11(8-16)14-15(13)3/h4-8H,1-3H3
InChIKeyWAJIWBGSNPNBJU-UHFFFAOYSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.52
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

5-(2,4-difluorophenyl)-1-methylpyrazole-3-carbaldehyde
CID 83822735
1-[5-(2,4-dimethylphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128339
5-(2,4-dimethylphenyl)-1-methylpyrazole
CID 91605877
5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde
CID 102543513
5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde
CID 28808628
N-(3-acetamidophenyl)-5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336739
6-(2,4-dimethylphenyl)-1,3-dimethylpyrimidine-2,4-dione
CID 15326624
2-(2,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine-6-carbaldehyde
CID 83966611
2,5-bis(2,4-dimethylphenyl)furan
CID 69007867
4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole
CID 83745555
5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 43671773
6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
CID 82520206

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde?
The IUPAC name of 5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde (CID 83821453) is 5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde?
The canonical SMILES for 5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde is Cc1ccc(-c2cc(C=O)nn2C)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde?
The InChIKey is WAJIWBGSNPNBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-4-5-12(10(2)6-9)13-7-11(8-16)14-15(13)3/h4-8H,1-3H3.
What are the key properties of 5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde?
5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde is sourced from PubChem (CID 83821453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).