2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde

C11H9ClN2O2 — CID 58542008

IUPAC2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde
SMILESCOc1ccc(-n2cc(Cl)cn2)c(C=O)c1
InChIInChI=1S/C11H9ClN2O2/c1-16-10-2-3-11(8(4-10)7-15)14-6-9(12)5-13-14/h2-7H,1H3
InChIKeyBDYXPXGAJUJDKT-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde

2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde (PubChem CID 58542008) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde
PubChem CID58542008
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde
SMILESCOc1ccc(-n2cc(Cl)cn2)c(C=O)c1
InChIInChI=1S/C11H9ClN2O2/c1-16-10-2-3-11(8(4-10)7-15)14-6-9(12)5-13-14/h2-7H,1H3
InChIKeyBDYXPXGAJUJDKT-UHFFFAOYSA-N
XLogP2.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde 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-chloropyrazol-1-yl)-5-methoxybenzaldehyde?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde (CID 58542008) is 2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde is COc1ccc(-n2cc(Cl)cn2)c(C=O)c1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde?
The InChIKey is BDYXPXGAJUJDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-16-10-2-3-11(8(4-10)7-15)14-6-9(12)5-13-14/h2-7H,1H3.
What are the key properties of 2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde?
2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde has a molecular weight of 236.66 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-5-methoxybenzaldehyde is sourced from PubChem (CID 58542008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).