3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde

C6H9N3O — CID 87243493

IUPAC3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde
SMILESCCc1c(N)n[nH]c1C=O
InChIInChI=1S/C6H9N3O/c1-2-4-5(3-10)8-9-6(4)7/h3H,2H2,1H3,(H3,7,8,9)
InChIKeyUXOCIDWCLMVBHH-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.37
Rot. Bonds2

About 3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde

3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde (PubChem CID 87243493) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde
PubChem CID87243493
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde
SMILESCCc1c(N)n[nH]c1C=O
InChIInChI=1S/C6H9N3O/c1-2-4-5(3-10)8-9-6(4)7/h3H,2H2,1H3,(H3,7,8,9)
InChIKeyUXOCIDWCLMVBHH-UHFFFAOYSA-N
XLogP0.37
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde?
The IUPAC name of 3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde (CID 87243493) is 3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde is CCc1c(N)n[nH]c1C=O.
What is the InChIKey of 3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde?
The InChIKey is UXOCIDWCLMVBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-4-5(3-10)8-9-6(4)7/h3H,2H2,1H3,(H3,7,8,9).
What are the key properties of 3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde?
3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde has a molecular weight of 139.16 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 87243493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).