3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde

C16H20N2O2 — CID 104508683

IUPAC3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1cc(C=O)c(-c2cc(C)c(OC)cc2C)n1
InChIInChI=1S/C16H20N2O2/c1-5-6-18-9-13(10-19)16(17-18)14-7-12(3)15(20-4)8-11(14)2/h7-10H,5-6H2,1-4H3
InChIKeySCCHYADLSXMZJE-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.40
Rot. Bonds5

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

3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde (PubChem CID 104508683) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde
PubChem CID104508683
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1cc(C=O)c(-c2cc(C)c(OC)cc2C)n1
InChIInChI=1S/C16H20N2O2/c1-5-6-18-9-13(10-19)16(17-18)14-7-12(3)15(20-4)8-11(14)2/h7-10H,5-6H2,1-4H3
InChIKeySCCHYADLSXMZJE-UHFFFAOYSA-N
XLogP3.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-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

3-(4-methoxy-2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 104508661
3-(2-fluoro-4,5-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 81042479
3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266471
2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde
CID 66020620
3-(4-methoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266299
3-methoxy-1-propylpyrazole-4-carbaldehyde
CID 139675382
1-ethyl-3-(2-fluoro-4,5-dimethoxyphenyl)pyrazole-4-carbaldehyde
CID 81042197
3-(1-tert-butyl-3-methylpyrazol-4-yl)-1-propylpyrazole-4-carbaldehyde
CID 61385463
3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde
CID 61266472
3-(2,3-difluorophenyl)-1-propylpyrazole-4-carbaldehyde
CID 112568791
4-methyl-1-propylpyrazole-3-carbaldehyde
CID 139675050
3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-propylpyrazole-4-carbaldehyde
CID 82877127

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde (CID 104508683) is 3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde is CCCn1cc(C=O)c(-c2cc(C)c(OC)cc2C)n1.
What is the InChIKey of 3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde?
The InChIKey is SCCHYADLSXMZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-6-18-9-13(10-19)16(17-18)14-7-12(3)15(20-4)8-11(14)2/h7-10H,5-6H2,1-4H3.
What are the key properties of 3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde?
3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde has a molecular weight of 272.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,5-dimethylphenyl)-1-propylpyrazole-4-carbaldehyde is sourced from PubChem (CID 104508683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).