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

C7H10N2O3 — CID 66023179

IUPAC2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid
SMILESCCc1cc(=O)n(CC(=O)O)[nH]1
InChIInChI=1S/C7H10N2O3/c1-2-5-3-6(10)9(8-5)4-7(11)12/h3,8H,2,4H2,1H3,(H,11,12)
InChIKeyLRLQXOSIAQKAJT-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.18
Rot. Bonds3

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

2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid (PubChem CID 66023179) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid
PubChem CID66023179
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid
SMILESCCc1cc(=O)n(CC(=O)O)[nH]1
InChIInChI=1S/C7H10N2O3/c1-2-5-3-6(10)9(8-5)4-7(11)12/h3,8H,2,4H2,1H3,(H,11,12)
InChIKeyLRLQXOSIAQKAJT-UHFFFAOYSA-N
XLogP-0.18
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
The IUPAC name of 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid (CID 66023179) is 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid is CCc1cc(=O)n(CC(=O)O)[nH]1.
What is the InChIKey of 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
The InChIKey is LRLQXOSIAQKAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-5-3-6(10)9(8-5)4-7(11)12/h3,8H,2,4H2,1H3,(H,11,12).
What are the key properties of 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid has a molecular weight of 170.17 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid is sourced from PubChem (CID 66023179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).