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

C7H10N2O3 — CID 69314889

IUPAC2-(4-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid
SMILESCCc1c[nH]n(CC(=O)O)c1=O
InChIInChI=1S/C7H10N2O3/c1-2-5-3-8-9(7(5)12)4-6(10)11/h3,8H,2,4H2,1H3,(H,10,11)
InChIKeyUMRVKIAYWVQYAW-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.18
Rot. Bonds3

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

2-(4-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid (PubChem CID 69314889) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(4-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid
PubChem CID69314889
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(4-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid
SMILESCCc1c[nH]n(CC(=O)O)c1=O
InChIInChI=1S/C7H10N2O3/c1-2-5-3-8-9(7(5)12)4-6(10)11/h3,8H,2,4H2,1H3,(H,10,11)
InChIKeyUMRVKIAYWVQYAW-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-(4-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
The IUPAC name of 2-(4-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid (CID 69314889) is 2-(4-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
The canonical SMILES for 2-(4-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid is CCc1c[nH]n(CC(=O)O)c1=O.
What is the InChIKey of 2-(4-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
The InChIKey is UMRVKIAYWVQYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-5-3-8-9(7(5)12)4-6(10)11/h3,8H,2,4H2,1H3,(H,10,11).
What are the key properties of 2-(4-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
2-(4-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-(4-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid is sourced from PubChem (CID 69314889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).