5-ethenyl-1-methylpyrazole-4-carbaldehyde

C7H8N2O — CID 121457966

IUPAC5-ethenyl-1-methylpyrazole-4-carbaldehyde
SMILESC=Cc1c(C=O)cnn1C
InChIInChI=1S/C7H8N2O/c1-3-7-6(5-10)4-8-9(7)2/h3-5H,1H2,2H3
InChIKeyWBICGRLZWWBTSZ-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.88
Rot. Bonds2

About 5-ethenyl-1-methylpyrazole-4-carbaldehyde

5-ethenyl-1-methylpyrazole-4-carbaldehyde (PubChem CID 121457966) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 5-ethenyl-1-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-ethenyl-1-methylpyrazole-4-carbaldehyde
PubChem CID121457966
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name5-ethenyl-1-methylpyrazole-4-carbaldehyde
SMILESC=Cc1c(C=O)cnn1C
InChIInChI=1S/C7H8N2O/c1-3-7-6(5-10)4-8-9(7)2/h3-5H,1H2,2H3
InChIKeyWBICGRLZWWBTSZ-UHFFFAOYSA-N
XLogP0.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.88
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

4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride
CID 167719540
5-formyl-1-methylpyrazole-4-carboxylic acid
CID 82416715
5-[4-(aminomethyl)phenyl]-1-methylpyrazole-4-carbaldehyde
CID 174489258
(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine
CID 143895936
1-methyl-5-(2-phenylethyl)pyrazole-4-carbaldehyde
CID 112709323
4-[(Z)-2-chloroethenyl]-1,5-bis(ethenyl)pyrazole
CID 143938756
5-(4-bromophenoxy)-1-methylpyrazole-4-carbaldehyde
CID 169156307
(E)-3-(1,4-dimethylpyrazol-5-yl)prop-2-enal
CID 131239814
4-bromo-1-methylindazole-5-carbaldehyde
CID 117109426
7-chloro-1-methylindazole-6-carbaldehyde
CID 117109713
5-(3-chlorophenyl)-1-methylpyrazole-4-carbaldehyde
CID 83822497
5-(2,4-difluorophenyl)-1-methylpyrazole-4-carbaldehyde
CID 83822737

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methylpyrazole-4-carbaldehyde?
The IUPAC name of 5-ethenyl-1-methylpyrazole-4-carbaldehyde (CID 121457966) is 5-ethenyl-1-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-ethenyl-1-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-ethenyl-1-methylpyrazole-4-carbaldehyde is C=Cc1c(C=O)cnn1C.
What is the InChIKey of 5-ethenyl-1-methylpyrazole-4-carbaldehyde?
The InChIKey is WBICGRLZWWBTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-3-7-6(5-10)4-8-9(7)2/h3-5H,1H2,2H3.
What are the key properties of 5-ethenyl-1-methylpyrazole-4-carbaldehyde?
5-ethenyl-1-methylpyrazole-4-carbaldehyde has a molecular weight of 136.15 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 121457966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).