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

C9H14N2O3 — CID 112713125

IUPAC3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid
SMILESCCn1[nH]c(CC(C)C(=O)O)cc1=O
InChIInChI=1S/C9H14N2O3/c1-3-11-8(12)5-7(10-11)4-6(2)9(13)14/h5-6,10H,3-4H2,1-2H3,(H,13,14)
InChIKeyFQHOUDYQIUJXIN-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.46
Rot. Bonds4

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

3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid (PubChem CID 112713125) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid
PubChem CID112713125
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid
SMILESCCn1[nH]c(CC(C)C(=O)O)cc1=O
InChIInChI=1S/C9H14N2O3/c1-3-11-8(12)5-7(10-11)4-6(2)9(13)14/h5-6,10H,3-4H2,1-2H3,(H,13,14)
InChIKeyFQHOUDYQIUJXIN-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetic acid
CID 83876501
3-(3-tert-butyl-1H-pyrazol-5-yl)-2-methylpropanoic acid
CID 112710278
3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
2-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanoic acid
CID 83856641
2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid
CID 105494198
3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid
CID 116878868
3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
CID 84674441
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-(2-hydroxy-4,5-dimethylphenyl)-2-methylpropanoic acid
CID 131600841
2-methyl-3-[4-oxo-7-(propoxymethyl)-5H-pyrrolo[1,2-a]quinoxalin-1-yl]propanoic acid
CID 59198830
(2S)-3-(2-bromo-4-ethylphenyl)-2-methylpropanoic acid
CID 129411362

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid (CID 112713125) is 3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid is CCn1[nH]c(CC(C)C(=O)O)cc1=O.
What is the InChIKey of 3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid?
The InChIKey is FQHOUDYQIUJXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-11-8(12)5-7(10-11)4-6(2)9(13)14/h5-6,10H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid?
3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid has a molecular weight of 198.22 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid is sourced from PubChem (CID 112713125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).