2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid

C8H12N2O3 — CID 125452860

IUPAC2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid
SMILESCCn1[nH]c(C)c(CC(=O)O)c1=O
InChIInChI=1S/C8H12N2O3/c1-3-10-8(13)6(4-7(11)12)5(2)9-10/h9H,3-4H2,1-2H3,(H,11,12)
InChIKeyMJAGVLDIPSCHLY-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.13
Rot. Bonds3

About 2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid

2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid (PubChem CID 125452860) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid
PubChem CID125452860
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid
SMILESCCn1[nH]c(C)c(CC(=O)O)c1=O
InChIInChI=1S/C8H12N2O3/c1-3-10-8(13)6(4-7(11)12)5(2)9-10/h9H,3-4H2,1-2H3,(H,11,12)
InChIKeyMJAGVLDIPSCHLY-UHFFFAOYSA-N
XLogP0.13
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.13
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-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid (CID 125452860) is 2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid is CCn1[nH]c(C)c(CC(=O)O)c1=O.
What is the InChIKey of 2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid?
The InChIKey is MJAGVLDIPSCHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-10-8(13)6(4-7(11)12)5(2)9-10/h9H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid?
2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid has a molecular weight of 184.19 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 125452860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).