2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde

C15H18N2O2 — CID 66009536

IUPAC2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde
SMILESCCCc1nn(C)cc1-c1ccc(OC)c(C=O)c1
InChIInChI=1S/C15H18N2O2/c1-4-5-14-13(9-17(2)16-14)11-6-7-15(19-3)12(8-11)10-18/h6-10H,4-5H2,1-3H3
InChIKeyPMVARZGTEUGFHW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.86
Rot. Bonds5

About 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde

2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde (PubChem CID 66009536) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde
PubChem CID66009536
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde
SMILESCCCc1nn(C)cc1-c1ccc(OC)c(C=O)c1
InChIInChI=1S/C15H18N2O2/c1-4-5-14-13(9-17(2)16-14)11-6-7-15(19-3)12(8-11)10-18/h6-10H,4-5H2,1-3H3
InChIKeyPMVARZGTEUGFHW-UHFFFAOYSA-N
XLogP2.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-(1-methyl-3-propylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde?
The IUPAC name of 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde (CID 66009536) is 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde is CCCc1nn(C)cc1-c1ccc(OC)c(C=O)c1.
What is the InChIKey of 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde?
The InChIKey is PMVARZGTEUGFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-5-14-13(9-17(2)16-14)11-6-7-15(19-3)12(8-11)10-18/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde?
2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde has a molecular weight of 258.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde is sourced from PubChem (CID 66009536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).