3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde

C13H14N2O — CID 82113593

IUPAC3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde
SMILESCc1ccc(-c2n[nH]c(C)c2C=O)c(C)c1
InChIInChI=1S/C13H14N2O/c1-8-4-5-11(9(2)6-8)13-12(7-16)10(3)14-15-13/h4-7H,1-3H3,(H,14,15)
InChIKeyFYQCROWQFPDFHQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.81
Rot. Bonds2

About 3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde

3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde (PubChem CID 82113593) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde
PubChem CID82113593
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde
SMILESCc1ccc(-c2n[nH]c(C)c2C=O)c(C)c1
InChIInChI=1S/C13H14N2O/c1-8-4-5-11(9(2)6-8)13-12(7-16)10(3)14-15-13/h4-7H,1-3H3,(H,14,15)
InChIKeyFYQCROWQFPDFHQ-UHFFFAOYSA-N
XLogP2.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbaldehyde
CID 83911949
3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106516910
5-chloro-3-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82297653
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42686125
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686114
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686116
3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82115185
2-amino-6-(2,4-dimethylphenyl)-4-sulfanylidene-1H-pyrimidine-5-carbaldehyde
CID 59519212
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686121
1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
CID 42874323
5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde
CID 102543513
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874069

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde (CID 82113593) is 3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde is Cc1ccc(-c2n[nH]c(C)c2C=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde?
The InChIKey is FYQCROWQFPDFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-4-5-11(9(2)6-8)13-12(7-16)10(3)14-15-13/h4-7H,1-3H3,(H,14,15).
What are the key properties of 3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde?
3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 82113593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).