2-(4-methoxyphenyl)pyrazole-3-carbaldehyde

C11H10N2O2 — CID 105454164

IUPAC2-(4-methoxyphenyl)pyrazole-3-carbaldehyde
SMILESCOc1ccc(-n2nccc2C=O)cc1
InChIInChI=1S/C11H10N2O2/c1-15-11-4-2-9(3-5-11)13-10(8-14)6-7-12-13/h2-8H,1H3
InChIKeyQLPVVSBVZJZORS-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.69
Rot. Bonds3

About 2-(4-methoxyphenyl)pyrazole-3-carbaldehyde

2-(4-methoxyphenyl)pyrazole-3-carbaldehyde (PubChem CID 105454164) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)pyrazole-3-carbaldehyde
PubChem CID105454164
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(4-methoxyphenyl)pyrazole-3-carbaldehyde
SMILESCOc1ccc(-n2nccc2C=O)cc1
InChIInChI=1S/C11H10N2O2/c1-15-11-4-2-9(3-5-11)13-10(8-14)6-7-12-13/h2-8H,1H3
InChIKeyQLPVVSBVZJZORS-UHFFFAOYSA-N
XLogP1.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)pyrazole-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)pyrazole-3-carbaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)pyrazole-3-carbaldehyde (CID 105454164) is 2-(4-methoxyphenyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)pyrazole-3-carbaldehyde is COc1ccc(-n2nccc2C=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)pyrazole-3-carbaldehyde?
The InChIKey is QLPVVSBVZJZORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-11-4-2-9(3-5-11)13-10(8-14)6-7-12-13/h2-8H,1H3.
What are the key properties of 2-(4-methoxyphenyl)pyrazole-3-carbaldehyde?
2-(4-methoxyphenyl)pyrazole-3-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 105454164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).