2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid

C7H10N2O3 — CID 61264165

IUPAC2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid
SMILESCCN1N=C(CC(=O)O)CC1=O
InChIInChI=1S/C7H10N2O3/c1-2-9-6(10)3-5(8-9)4-7(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyVEYWPWMATHXKKM-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.07
Rot. Bonds3

About 2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid

2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid (PubChem CID 61264165) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid
PubChem CID61264165
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid
SMILESCCN1N=C(CC(=O)O)CC1=O
InChIInChI=1S/C7H10N2O3/c1-2-9-6(10)3-5(8-9)4-7(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyVEYWPWMATHXKKM-UHFFFAOYSA-N
XLogP0.07
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid (CID 61264165) is 2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid is CCN1N=C(CC(=O)O)CC1=O.
What is the InChIKey of 2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid?
The InChIKey is VEYWPWMATHXKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-9-6(10)3-5(8-9)4-7(11)12/h2-4H2,1H3,(H,11,12).
What are the key properties of 2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid?
2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid has a molecular weight of 170.17 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid is sourced from PubChem (CID 61264165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).