5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde

C13H14N2O — CID 28808628

IUPAC5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde
SMILESCCc1ccc(-c2cc(C=O)nn2C)cc1
InChIInChI=1S/C13H14N2O/c1-3-10-4-6-11(7-5-10)13-8-12(9-16)14-15(13)2/h4-9H,3H2,1-2H3
InChIKeyHMQWRFRPFOSKCI-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.46
Rot. Bonds3

About 5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde

5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde (PubChem CID 28808628) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde
PubChem CID28808628
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde
SMILESCCc1ccc(-c2cc(C=O)nn2C)cc1
InChIInChI=1S/C13H14N2O/c1-3-10-4-6-11(7-5-10)13-8-12(9-16)14-15(13)2/h4-9H,3H2,1-2H3
InChIKeyHMQWRFRPFOSKCI-UHFFFAOYSA-N
XLogP2.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-1-propylpyrazole-3-carbaldehyde
CID 122476934
5-(2,4-difluorophenyl)-1-methylpyrazole-3-carbaldehyde
CID 83822735
6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82520654
5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carbaldehyde
CID 83821453
1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 45037411
1-tert-butyl-5-phenylpyrazole-3-carbaldehyde
CID 105485865
4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one
CID 82443838
5-(4-ethylphenyl)-1H-pyrrole-2-carbaldehyde
CID 82397817
[5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol
CID 93186327
5-amino-3-(4-ethylphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde
CID 82360347
3-(4-ethylphenyl)-5-propan-2-ylbenzaldehyde
CID 123457537
5-(4-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine
CID 84670791

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde?
The IUPAC name of 5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde (CID 28808628) is 5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde.
What is the SMILES notation for 5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde?
The canonical SMILES for 5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde is CCc1ccc(-c2cc(C=O)nn2C)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde?
The InChIKey is HMQWRFRPFOSKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-10-4-6-11(7-5-10)13-8-12(9-16)14-15(13)2/h4-9H,3H2,1-2H3.
What are the key properties of 5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde?
5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-1-methylpyrazole-3-carbaldehyde is sourced from PubChem (CID 28808628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).