4-(5-methylpyrazol-1-yl)benzaldehyde

C11H10N2O — CID 105442092

IUPAC4-(5-methylpyrazol-1-yl)benzaldehyde
SMILESCc1ccnn1-c1ccc(C=O)cc1
InChIInChI=1S/C11H10N2O/c1-9-6-7-12-13(9)11-4-2-10(8-14)3-5-11/h2-8H,1H3
InChIKeyCMOPILWKZXOFAY-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.99
Rot. Bonds2

About 4-(5-methylpyrazol-1-yl)benzaldehyde

4-(5-methylpyrazol-1-yl)benzaldehyde (PubChem CID 105442092) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(5-methylpyrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(5-methylpyrazol-1-yl)benzaldehyde
PubChem CID105442092
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-(5-methylpyrazol-1-yl)benzaldehyde
SMILESCc1ccnn1-c1ccc(C=O)cc1
InChIInChI=1S/C11H10N2O/c1-9-6-7-12-13(9)11-4-2-10(8-14)3-5-11/h2-8H,1H3
InChIKeyCMOPILWKZXOFAY-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(5-methylpyrazol-1-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

Related Compounds

3-(5-methylpyrazol-1-yl)benzaldehyde
CID 121219228
5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146
6-(5-methylpyrazol-1-yl)pyridine-3-carbaldehyde
CID 164762774
4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde
CID 71743905
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 16640533
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
5-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 174605687
[4-(5-methylpyrazol-1-yl)phenyl]boronic acid
CID 164783046
2-[4-(5-methylpyrazol-1-yl)phenyl]ethanol
CID 117290924
N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine
CID 117291725
2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile
CID 117287094
2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine
CID 117307089

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazol-1-yl)benzaldehyde?
The IUPAC name of 4-(5-methylpyrazol-1-yl)benzaldehyde (CID 105442092) is 4-(5-methylpyrazol-1-yl)benzaldehyde.
What is the SMILES notation for 4-(5-methylpyrazol-1-yl)benzaldehyde?
The canonical SMILES for 4-(5-methylpyrazol-1-yl)benzaldehyde is Cc1ccnn1-c1ccc(C=O)cc1.
What is the InChIKey of 4-(5-methylpyrazol-1-yl)benzaldehyde?
The InChIKey is CMOPILWKZXOFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-9-6-7-12-13(9)11-4-2-10(8-14)3-5-11/h2-8H,1H3.
What are the key properties of 4-(5-methylpyrazol-1-yl)benzaldehyde?
4-(5-methylpyrazol-1-yl)benzaldehyde has a molecular weight of 186.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrazol-1-yl)benzaldehyde is sourced from PubChem (CID 105442092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).