4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde

C12H12N2O — CID 139674959

IUPAC4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde
SMILESCc1cccc(-n2ncc(C)c2C=O)c1
InChIInChI=1S/C12H12N2O/c1-9-4-3-5-11(6-9)14-12(8-15)10(2)7-13-14/h3-8H,1-2H3
InChIKeyBKADCFVEWFVIBF-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.30
Rot. Bonds2

About 4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde

4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde (PubChem CID 139674959) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde
PubChem CID139674959
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde
SMILESCc1cccc(-n2ncc(C)c2C=O)c1
InChIInChI=1S/C12H12N2O/c1-9-4-3-5-11(6-9)14-12(8-15)10(2)7-13-14/h3-8H,1-2H3
InChIKeyBKADCFVEWFVIBF-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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Related Compounds

1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde
CID 139674921
4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one
CID 126527319
4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde
CID 139675198
5-iodo-2-(3-methylphenyl)pyridazin-3-one
CID 24997710
4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde
CID 82421723
1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine
CID 43209034
1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde
CID 82198036
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
6-bromo-1-(3-methylphenyl)indazole
CID 142432399
1-(3-methylphenyl)-5-pyridin-4-yltriazole-4-carbaldehyde
CID 82198019
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53015687
5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carbaldehyde
CID 82198022

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde?
The IUPAC name of 4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde (CID 139674959) is 4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde.
What is the SMILES notation for 4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde?
The canonical SMILES for 4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde is Cc1cccc(-n2ncc(C)c2C=O)c1.
What is the InChIKey of 4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde?
The InChIKey is BKADCFVEWFVIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-4-3-5-11(6-9)14-12(8-15)10(2)7-13-14/h3-8H,1-2H3.
What are the key properties of 4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde?
4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde 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 4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde is sourced from PubChem (CID 139674959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).