4-ethylpyrazole-1-carboxylic acid

C6H8N2O2 — CID 21320246

IUPAC4-ethylpyrazole-1-carboxylic acid
SMILESCCc1cnn(C(=O)O)c1
InChIInChI=1S/C6H8N2O2/c1-2-5-3-7-8(4-5)6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKeyIZGZQDNFGBBDGK-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.97
Rot. Bonds1

About 4-ethylpyrazole-1-carboxylic acid

4-ethylpyrazole-1-carboxylic acid (PubChem CID 21320246) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4-ethylpyrazole-1-carboxylic acid.

Molecular Properties

Compound Name4-ethylpyrazole-1-carboxylic acid
PubChem CID21320246
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name4-ethylpyrazole-1-carboxylic acid
SMILESCCc1cnn(C(=O)O)c1
InChIInChI=1S/C6H8N2O2/c1-2-5-3-7-8(4-5)6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKeyIZGZQDNFGBBDGK-UHFFFAOYSA-N
XLogP0.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpyrazole-1-carboxylic acid?
The IUPAC name of 4-ethylpyrazole-1-carboxylic acid (CID 21320246) is 4-ethylpyrazole-1-carboxylic acid.
What is the SMILES notation for 4-ethylpyrazole-1-carboxylic acid?
The canonical SMILES for 4-ethylpyrazole-1-carboxylic acid is CCc1cnn(C(=O)O)c1.
What is the InChIKey of 4-ethylpyrazole-1-carboxylic acid?
The InChIKey is IZGZQDNFGBBDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-5-3-7-8(4-5)6(9)10/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 4-ethylpyrazole-1-carboxylic acid?
4-ethylpyrazole-1-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpyrazole-1-carboxylic acid is sourced from PubChem (CID 21320246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).