2-methylpyrazole-3-carbaldehyde

C5H6N2O — CID 7019414

IUPAC2-methylpyrazole-3-carbaldehyde
SMILESCn1nccc1C=O
InChIInChI=1S/C5H6N2O/c1-7-5(4-8)2-3-6-7/h2-4H,1H3
InChIKeyRAJRANFZSWDUJZ-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.23
Rot. Bonds1

About 2-methylpyrazole-3-carbaldehyde

2-methylpyrazole-3-carbaldehyde (PubChem CID 7019414) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 2-methylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-methylpyrazole-3-carbaldehyde
PubChem CID7019414
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name2-methylpyrazole-3-carbaldehyde
SMILESCn1nccc1C=O
InChIInChI=1S/C5H6N2O/c1-7-5(4-8)2-3-6-7/h2-4H,1H3
InChIKeyRAJRANFZSWDUJZ-UHFFFAOYSA-N
XLogP0.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.23
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-Methyl-1H-pyrazole-3-carboxaldehyde
CID 7026090
1,3-dimethyl-1H-pyrazole-5-carbaldehyde
CID 2776362
1-methyl-1H-pyrazole-5-carbonyl chloride
CID 3164932
3-Chloro-1-methyl-1H-pyrazole-5-carbaldehyde
CID 17794478
1-(oxan-2-yl)-1H-pyrazole-5-carbaldehyde
CID 3164313
1-(1-Methyl-1H-pyrazol-5-yl)ethan-1-one
CID 7017416
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
4-bromo-1-methyl-1H-pyrazole-3-carbaldehyde
CID 2735595
4-bromo-1-methyl-1H-pyrazole-5-carbaldehyde
CID 2794634
1-ethyl-1H-pyrazole-5-carbonyl chloride
CID 3164933
1-ethyl-1H-pyrazole-5-carbaldehyde
CID 7009534

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrazole-3-carbaldehyde?
The IUPAC name of 2-methylpyrazole-3-carbaldehyde (CID 7019414) is 2-methylpyrazole-3-carbaldehyde.
What is the SMILES notation for 2-methylpyrazole-3-carbaldehyde?
The canonical SMILES for 2-methylpyrazole-3-carbaldehyde is Cn1nccc1C=O.
What is the InChIKey of 2-methylpyrazole-3-carbaldehyde?
The InChIKey is RAJRANFZSWDUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-7-5(4-8)2-3-6-7/h2-4H,1H3.
What are the key properties of 2-methylpyrazole-3-carbaldehyde?
2-methylpyrazole-3-carbaldehyde has a molecular weight of 110.12 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazole-3-carbaldehyde is sourced from PubChem (CID 7019414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).