3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid

C8H12N2O3 — CID 83856988

IUPAC3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
SMILESCc1c(CCC(=O)O)[nH]n(C)c1=O
InChIInChI=1S/C8H12N2O3/c1-5-6(3-4-7(11)12)9-10(2)8(5)13/h9H,3-4H2,1-2H3,(H,11,12)
InChIKeyDVKRDANRMUUCJJ-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.04
Rot. Bonds3

About 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid

3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid (PubChem CID 83856988) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
PubChem CID83856988
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
SMILESCc1c(CCC(=O)O)[nH]n(C)c1=O
InChIInChI=1S/C8H12N2O3/c1-5-6(3-4-7(11)12)9-10(2)8(5)13/h9H,3-4H2,1-2H3,(H,11,12)
InChIKeyDVKRDANRMUUCJJ-UHFFFAOYSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic 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-[2-(2-fluoroethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 84670482
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
3-(4-Methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 82412564
3-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid
CID 83846163
3-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
CID 83846166
2-methyl-3-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid
CID 83846890
3-(2-methyl-5-oxo-1H-pyrazol-3-yl)butanoic acid
CID 83846891
2-methyl-3-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
CID 83846897
3-(2-methyl-3-oxo-1H-pyrazol-5-yl)butanoic acid
CID 83846898
2,2-dimethyl-3-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid
CID 83847832
3-methyl-3-(2-methyl-5-oxo-1H-pyrazol-3-yl)butanoic acid
CID 83847833

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid (CID 83856988) is 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid is Cc1c(CCC(=O)O)[nH]n(C)c1=O.
What is the InChIKey of 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid?
The InChIKey is DVKRDANRMUUCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-6(3-4-7(11)12)9-10(2)8(5)13/h9H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid?
3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 83856988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).