2-(2,5-dimethylpyrazol-3-yl)benzaldehyde

C12H12N2O — CID 168510082

IUPAC2-(2,5-dimethylpyrazol-3-yl)benzaldehyde
SMILESCc1cc(-c2ccccc2C=O)n(C)n1
InChIInChI=1S/C12H12N2O/c1-9-7-12(14(2)13-9)11-6-4-3-5-10(11)8-15/h3-8H,1-2H3
InChIKeyZDMWGSMATGGMAF-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.21
Rot. Bonds2

About 2-(2,5-dimethylpyrazol-3-yl)benzaldehyde

2-(2,5-dimethylpyrazol-3-yl)benzaldehyde (PubChem CID 168510082) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)benzaldehyde
PubChem CID168510082
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)benzaldehyde
SMILESCc1cc(-c2ccccc2C=O)n(C)n1
InChIInChI=1S/C12H12N2O/c1-9-7-12(14(2)13-9)11-6-4-3-5-10(11)8-15/h3-8H,1-2H3
InChIKeyZDMWGSMATGGMAF-UHFFFAOYSA-N
XLogP2.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethylpyrazol-3-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-(2,5-dimethylpyrazol-3-yl)benzaldehyde?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)benzaldehyde (CID 168510082) is 2-(2,5-dimethylpyrazol-3-yl)benzaldehyde.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)benzaldehyde?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)benzaldehyde is Cc1cc(-c2ccccc2C=O)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)benzaldehyde?
The InChIKey is ZDMWGSMATGGMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-7-12(14(2)13-9)11-6-4-3-5-10(11)8-15/h3-8H,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)benzaldehyde?
2-(2,5-dimethylpyrazol-3-yl)benzaldehyde has a molecular weight of 200.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)benzaldehyde is sourced from PubChem (CID 168510082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).