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

C7H10N2O3 — CID 138584824

IUPAC2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid
SMILESCCc1cc(=O)[nH]n1CC(=O)O
InChIInChI=1S/C7H10N2O3/c1-2-5-3-6(10)8-9(5)4-7(11)12/h3H,2,4H2,1H3,(H,8,10)(H,11,12)
InChIKeyZHQPRMZYPPSNIF-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.18
Rot. Bonds3

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

2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid (PubChem CID 138584824) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid
PubChem CID138584824
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid
SMILESCCc1cc(=O)[nH]n1CC(=O)O
InChIInChI=1S/C7H10N2O3/c1-2-5-3-6(10)8-9(5)4-7(11)12/h3H,2,4H2,1H3,(H,8,10)(H,11,12)
InChIKeyZHQPRMZYPPSNIF-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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Related Compounds

2-(5-ethyl-4-fluoro-3-oxo-1H-pyrazol-2-yl)acetic acid
CID 84039390
2-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)acetic acid
CID 19897299
2-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanoic acid
CID 20193789
2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid
CID 20548806
tert-butyl 2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetate
CID 138602583
ethyl 2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetate
CID 175406282
2-(5-ethyl-4-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid
CID 66020294
2-(3-oxo-5-propyl-1H-pyrazol-2-yl)acetic acid
CID 66022972
2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetic acid
CID 66022973
2-(3-(tert-butyl)-5-hydroxy-1H-pyrazol-1-yl)acetic acid
CID 66022974
2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid
CID 66023179
2-[5-(2-methylpropyl)-3-oxo-1H-pyrazol-2-yl]acetic acid
CID 80433465

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid (CID 138584824) is 2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid is CCc1cc(=O)[nH]n1CC(=O)O.
What is the InChIKey of 2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid?
The InChIKey is ZHQPRMZYPPSNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-5-3-6(10)8-9(5)4-7(11)12/h3H,2,4H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid?
2-(3-ethyl-5-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-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid is sourced from PubChem (CID 138584824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).