2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde

C6H8N2O2 — CID 83872329

IUPAC2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde
SMILESCCn1[nH]c(C=O)cc1=O
InChIInChI=1S/C6H8N2O2/c1-2-8-6(10)3-5(4-9)7-8/h3-4,7H,2H2,1H3
InChIKeyBMWPZVUDLOKPAN-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.01
Rot. Bonds2

About 2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde

2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde (PubChem CID 83872329) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde
PubChem CID83872329
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde
SMILESCCn1[nH]c(C=O)cc1=O
InChIInChI=1S/C6H8N2O2/c1-2-8-6(10)3-5(4-9)7-8/h3-4,7H,2H2,1H3
InChIKeyBMWPZVUDLOKPAN-UHFFFAOYSA-N
XLogP0.01
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-ethyl)-5-methyl-2H-pyrazol-3-ol
CID 12237030
5-Methyl-2-propyl-1,2-dihydro-3H-pyrazol-3-one
CID 12385116
3-oxo-2-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carbaldehyde
CID 172509160
1-ethyl-3-methyl-1H-pyrazol-5-ol
CID 4739005
1H-Pyrazol-5-ol, 3-methyl-1-(1-methylethyl)-
CID 12385114
5-methyl-3-oxo-1H-pyrazole-2-carbaldehyde
CID 13436881
5-hydroxy-1-hydroxyethyl-3-methyl-1H-pyrazole
CID 18377710
2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide
CID 21501955
5-methyl-2-prop-2-enyl-1H-pyrazol-3-one
CID 54483912
2-methyl-5-oxo-1H-pyrazole-3-carbaldehyde
CID 83845348
5-hydroxy-1-methyl-1H-pyrazole-3-carbaldehyde
CID 83845349
2-(3-methylbutyl)-3-oxo-1H-pyrazole-5-carbaldehyde
CID 88563803

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde?
The IUPAC name of 2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde (CID 83872329) is 2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde is CCn1[nH]c(C=O)cc1=O.
What is the InChIKey of 2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde?
The InChIKey is BMWPZVUDLOKPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-8-6(10)3-5(4-9)7-8/h3-4,7H,2H2,1H3.
What are the key properties of 2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde?
2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde has a molecular weight of 140.14 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 83872329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).