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

C9H14N2O3 — CID 117124563

IUPAC2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
SMILESCCc1[nH]n(CC)c(=O)c1CC(=O)O
InChIInChI=1S/C9H14N2O3/c1-3-7-6(5-8(12)13)9(14)11(4-2)10-7/h10H,3-5H2,1-2H3,(H,12,13)
InChIKeyYCIJMDUFAALOHB-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.39
Rot. Bonds4

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

2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid (PubChem CID 117124563) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
PubChem CID117124563
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
SMILESCCc1[nH]n(CC)c(=O)c1CC(=O)O
InChIInChI=1S/C9H14N2O3/c1-3-7-6(5-8(12)13)9(14)11(4-2)10-7/h10H,3-5H2,1-2H3,(H,12,13)
InChIKeyYCIJMDUFAALOHB-UHFFFAOYSA-N
XLogP0.39
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluoroethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 84670482
(5-Methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-YL)acetic acid
CID 2069027
2-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 58125142
2-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)butanoic acid
CID 66881197
ethyl 2-(2,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetate
CID 91096612
2-(1-Amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid
CID 141116671
2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid
CID 66023177
3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
CID 83856988
3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)butanoic acid
CID 83857024
3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid
CID 83857025
3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid
CID 83857027
2-(3-Oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)acetic acid
CID 84081815

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid (CID 117124563) is 2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid is CCc1[nH]n(CC)c(=O)c1CC(=O)O.
What is the InChIKey of 2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid?
The InChIKey is YCIJMDUFAALOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-7-6(5-8(12)13)9(14)11(4-2)10-7/h10H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid?
2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid has a molecular weight of 198.22 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 117124563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).