2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde

C12H12N2O — CID 62489314

IUPAC2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde
SMILESCc1ccn(-c2ccc(C=O)c(C)c2)n1
InChIInChI=1S/C12H12N2O/c1-9-7-12(4-3-11(9)8-15)14-6-5-10(2)13-14/h3-8H,1-2H3
InChIKeyWJFNHBQPSFKETH-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.30
Rot. Bonds2

About 2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde

2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde (PubChem CID 62489314) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde
PubChem CID62489314
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde
SMILESCc1ccn(-c2ccc(C=O)c(C)c2)n1
InChIInChI=1S/C12H12N2O/c1-9-7-12(4-3-11(9)8-15)14-6-5-10(2)13-14/h3-8H,1-2H3
InChIKeyWJFNHBQPSFKETH-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde?
The IUPAC name of 2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde (CID 62489314) is 2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde.
What is the SMILES notation for 2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde?
The canonical SMILES for 2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde is Cc1ccn(-c2ccc(C=O)c(C)c2)n1.
What is the InChIKey of 2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde?
The InChIKey is WJFNHBQPSFKETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-7-12(4-3-11(9)8-15)14-6-5-10(2)13-14/h3-8H,1-2H3.
What are the key properties of 2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde?
2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde has a molecular weight of 200.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylpyrazol-1-yl)benzaldehyde is sourced from PubChem (CID 62489314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).