3-ethoxy-1H-pyrazole-5-carboxylic acid

C6H8N2O3 — CID 11321080

IUPAC3-ethoxy-1H-pyrazole-5-carboxylic acid
SMILESCCOc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C6H8N2O3/c1-2-11-5-3-4(6(9)10)7-8-5/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyXJEVZVWMLSOJJV-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.51
Rot. Bonds3

About 3-ethoxy-1H-pyrazole-5-carboxylic acid

3-ethoxy-1H-pyrazole-5-carboxylic acid (PubChem CID 11321080) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-ethoxy-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-1H-pyrazole-5-carboxylic acid
PubChem CID11321080
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name3-ethoxy-1H-pyrazole-5-carboxylic acid
SMILESCCOc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C6H8N2O3/c1-2-11-5-3-4(6(9)10)7-8-5/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyXJEVZVWMLSOJJV-UHFFFAOYSA-N
XLogP0.51
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-ethoxy-1H-pyrazole-5-carboxylic acid (CID 11321080) is 3-ethoxy-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-ethoxy-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-ethoxy-1H-pyrazole-5-carboxylic acid is CCOc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-ethoxy-1H-pyrazole-5-carboxylic acid?
The InChIKey is XJEVZVWMLSOJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-11-5-3-4(6(9)10)7-8-5/h3H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 3-ethoxy-1H-pyrazole-5-carboxylic acid?
3-ethoxy-1H-pyrazole-5-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 11321080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).