2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde

C15H18N2O3 — CID 82039765

IUPAC2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
SMILESCOc1cc(-c2c(C)nn(C)c2C)cc(C=O)c1OC
InChIInChI=1S/C15H18N2O3/c1-9-14(10(2)17(3)16-9)11-6-12(8-18)15(20-5)13(7-11)19-4/h6-8H,1-5H3
InChIKeyIXLTZIXKWVWEEF-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.53
Rot. Bonds4

About 2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde

2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde (PubChem CID 82039765) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
PubChem CID82039765
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
SMILESCOc1cc(-c2c(C)nn(C)c2C)cc(C=O)c1OC
InChIInChI=1S/C15H18N2O3/c1-9-14(10(2)17(3)16-9)11-6-12(8-18)15(20-5)13(7-11)19-4/h6-8H,1-5H3
InChIKeyIXLTZIXKWVWEEF-UHFFFAOYSA-N
XLogP2.53
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde 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-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
CID 82038968
4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 82039757
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
4-methoxy-2,3-dimethylindazole-5-carbaldehyde
CID 117110344
1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine
CID 82542007
5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde
CID 66097421
1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine
CID 110447777
2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde
CID 39226788
3-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]butanoic acid
CID 110447364
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
CID 82039986
3-(3-formyl-4,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117442030
5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 117091971

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde?
The IUPAC name of 2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde (CID 82039765) is 2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde.
What is the SMILES notation for 2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde?
The canonical SMILES for 2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde is COc1cc(-c2c(C)nn(C)c2C)cc(C=O)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde?
The InChIKey is IXLTZIXKWVWEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-14(10(2)17(3)16-9)11-6-12(8-18)15(20-5)13(7-11)19-4/h6-8H,1-5H3.
What are the key properties of 2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde?
2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde has a molecular weight of 274.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde is sourced from PubChem (CID 82039765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).