4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid

C6H8N2O3 — CID 83694668

IUPAC4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid
SMILESCCC1C(=O)NN=C1C(=O)O
InChIInChI=1S/C6H8N2O3/c1-2-3-4(6(10)11)7-8-5(3)9/h3H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyUIWGBJQUSXSDKX-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.42
Rot. Bonds2

About 4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid

4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid (PubChem CID 83694668) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid
PubChem CID83694668
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid
SMILESCCC1C(=O)NN=C1C(=O)O
InChIInChI=1S/C6H8N2O3/c1-2-3-4(6(10)11)7-8-5(3)9/h3H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyUIWGBJQUSXSDKX-UHFFFAOYSA-N
XLogP-0.42
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetic acid
CID 2772063
1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-
CID 117046
Ethyl 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetate
CID 13017338
4-Methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 13017367
tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate
CID 59095114
(3R)-3-(dimethylaminocarbamoyl)-2-iminopentanoic acid
CID 174621962
2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]acetic acid
CID 942042
2-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]acetic acid
CID 1403030
(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-2-ium-4-yl)acetate
CID 4872828
Methyl 4-methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 13017368
methyl 2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetate
CID 45492311
4,5,5-Trimethyl-1,4-dihydropyrazole-3-carboxylic acid
CID 59239923

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid?
The IUPAC name of 4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid (CID 83694668) is 4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid?
The canonical SMILES for 4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid is CCC1C(=O)NN=C1C(=O)O.
What is the InChIKey of 4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid?
The InChIKey is UIWGBJQUSXSDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-3-4(6(10)11)7-8-5(3)9/h3H,2H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid?
4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-oxo-1,4-dihydropyrazole-3-carboxylic acid is sourced from PubChem (CID 83694668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).