2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid

C6H8N2O4 — CID 59148634

IUPAC2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(CCO)[nH]1
InChIInChI=1S/C6H8N2O4/c9-2-1-8-5(10)3-4(7-8)6(11)12/h3,7,9H,1-2H2,(H,11,12)
InChIKeyYEAFYCUKXGUWAQ-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.13
Rot. Bonds3

About 2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid

2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid (PubChem CID 59148634) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid
PubChem CID59148634
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(CCO)[nH]1
InChIInChI=1S/C6H8N2O4/c9-2-1-8-5(10)3-4(7-8)6(11)12/h3,7,9H,1-2H2,(H,11,12)
InChIKeyYEAFYCUKXGUWAQ-UHFFFAOYSA-N
XLogP-1.13
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid (CID 59148634) is 2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(=O)n(CCO)[nH]1.
What is the InChIKey of 2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The InChIKey is YEAFYCUKXGUWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c9-2-1-8-5(10)3-4(7-8)6(11)12/h3,7,9H,1-2H2,(H,11,12).
What are the key properties of 2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid has a molecular weight of 172.14 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 59148634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).