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

C8H12N2O3 — CID 151496507

IUPAC2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid
SMILESCC(C)n1[nH]c(CC(=O)O)cc1=O
InChIInChI=1S/C8H12N2O3/c1-5(2)10-7(11)3-6(9-10)4-8(12)13/h3,5,9H,4H2,1-2H3,(H,12,13)
InChIKeyPRHRGAHXDLKMIM-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.38
Rot. Bonds3

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

2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid (PubChem CID 151496507) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid
PubChem CID151496507
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid
SMILESCC(C)n1[nH]c(CC(=O)O)cc1=O
InChIInChI=1S/C8H12N2O3/c1-5(2)10-7(11)3-6(9-10)4-8(12)13/h3,5,9H,4H2,1-2H3,(H,12,13)
InChIKeyPRHRGAHXDLKMIM-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic 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-(1-(2-methylpropyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetic acid
CID 4962216
3-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanoic acid
CID 19622647
1-Methyl-3-methoxycarbonylmethyl-5-hydroxypyrazole
CID 21493500
2-methyl-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanoic acid
CID 21501933
3-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid
CID 53725033
2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
CID 67320132
2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetic acid
CID 68413311
2-(2-methyl-5-oxo-1H-pyrazol-3-yl)acetic acid
CID 69644355
methyl 2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetate
CID 176947998
2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetate
CID 7128999
3-[5-(2-Carboxyethyl)pyrazon-2-yl]Propanoic acid
CID 73013116
2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid
CID 83846162

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid?
The IUPAC name of 2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid (CID 151496507) is 2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid is CC(C)n1[nH]c(CC(=O)O)cc1=O.
What is the InChIKey of 2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid?
The InChIKey is PRHRGAHXDLKMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(2)10-7(11)3-6(9-10)4-8(12)13/h3,5,9H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid?
2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid has a molecular weight of 184.19 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)acetic acid is sourced from PubChem (CID 151496507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).