3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde

C10H7ClN2O — CID 53434330

IUPAC3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde
SMILESO=CC1C=NN=C1c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN2O/c11-9-3-1-7(2-4-9)10-8(6-14)5-12-13-10/h1-6,8H
InChIKeyPYEWTHFHXHMKQE-UHFFFAOYSA-N
MW206.63 g/mol
LogP1.94
Rot. Bonds2

About 3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde

3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde (PubChem CID 53434330) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde
PubChem CID53434330
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde
SMILESO=CC1C=NN=C1c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN2O/c11-9-3-1-7(2-4-9)10-8(6-14)5-12-13-10/h1-6,8H
InChIKeyPYEWTHFHXHMKQE-UHFFFAOYSA-N
XLogP1.94
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-4H-pyrazole-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde?
The IUPAC name of 3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde (CID 53434330) is 3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde is O=CC1C=NN=C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde?
The InChIKey is PYEWTHFHXHMKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-9-3-1-7(2-4-9)10-8(6-14)5-12-13-10/h1-6,8H.
What are the key properties of 3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde?
3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde has a molecular weight of 206.63 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 53434330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).