2-(4-methylpyrazol-1-yl)acetaldehyde

C6H8N2O — CID 19620658

IUPAC2-(4-methylpyrazol-1-yl)acetaldehyde
SMILESCc1cnn(CC=O)c1
InChIInChI=1S/C6H8N2O/c1-6-4-7-8(5-6)2-3-9/h3-5H,2H2,1H3
InChIKeyPNQXDIWFZFBVJL-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.39
Rot. Bonds2

About 2-(4-methylpyrazol-1-yl)acetaldehyde

2-(4-methylpyrazol-1-yl)acetaldehyde (PubChem CID 19620658) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)acetaldehyde
PubChem CID19620658
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-(4-methylpyrazol-1-yl)acetaldehyde
SMILESCc1cnn(CC=O)c1
InChIInChI=1S/C6H8N2O/c1-6-4-7-8(5-6)2-3-9/h3-5H,2H2,1H3
InChIKeyPNQXDIWFZFBVJL-UHFFFAOYSA-N
XLogP0.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.39
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

1,4-Dimethylpyrazole
CID 136836
1-Methyl-1H-pyrazole-4-carbaldehyde
CID 573117
1-Ethyl-1H-pyrazole-4-carboxaldehyde
CID 2758900
1-tert-butyl-1H-pyrazole-4-carbaldehyde
CID 14510324
1-Propyl-1H-pyrazole-4-carbaldehyde
CID 4711792
2-(4-methyl-1H-pyrazol-1-yl)acetic acid
CID 6485345
1-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CID 5230536
1-(2-Methylpropyl)-1H-pyrazole-4-carbaldehyde
CID 19576747
1-(2-methoxyethyl)-1H-pyrazole-4-carbaldehyde
CID 23033398
1-Allyl-1H-pyrazole-4-carbaldehyde
CID 45791205
1-Cyclopropyl-1H-pyrazole-4-carboxaldehyde
CID 57416914
1-(2-fluoroethyl)-1H-pyrazole-4-carbaldehyde
CID 71756275

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)acetaldehyde?
The IUPAC name of 2-(4-methylpyrazol-1-yl)acetaldehyde (CID 19620658) is 2-(4-methylpyrazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)acetaldehyde is Cc1cnn(CC=O)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)acetaldehyde?
The InChIKey is PNQXDIWFZFBVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-6-4-7-8(5-6)2-3-9/h3-5H,2H2,1H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)acetaldehyde?
2-(4-methylpyrazol-1-yl)acetaldehyde has a molecular weight of 124.14 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)acetaldehyde is sourced from PubChem (CID 19620658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).