3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid

C8H12N2O3 — CID 39870092

IUPAC3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
SMILESCCc1nn(CCO)cc1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-2-7-6(8(12)13)5-10(9-7)3-4-11/h5,11H,2-4H2,1H3,(H,12,13)
InChIKeyQXSXJSUFIDNORG-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.14
Rot. Bonds4

About 3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid

3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid (PubChem CID 39870092) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
PubChem CID39870092
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
SMILESCCc1nn(CCO)cc1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-2-7-6(8(12)13)5-10(9-7)3-4-11/h5,11H,2-4H2,1H3,(H,12,13)
InChIKeyQXSXJSUFIDNORG-UHFFFAOYSA-N
XLogP0.14
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid (CID 39870092) is 3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid is CCc1nn(CCO)cc1C(=O)O.
What is the InChIKey of 3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid?
The InChIKey is QXSXJSUFIDNORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-7-6(8(12)13)5-10(9-7)3-4-11/h5,11H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid?
3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 39870092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).