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

C10H16N2O3 — CID 83857027

IUPAC3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid
SMILESCc1c(CC(C)(C)C(=O)O)[nH]n(C)c1=O
InChIInChI=1S/C10H16N2O3/c1-6-7(11-12(4)8(6)13)5-10(2,3)9(14)15/h11H,5H2,1-4H3,(H,14,15)
InChIKeyNSEOSDWZKCIBFC-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.68
Rot. Bonds3

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

3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid (PubChem CID 83857027) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid
PubChem CID83857027
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid
SMILESCc1c(CC(C)(C)C(=O)O)[nH]n(C)c1=O
InChIInChI=1S/C10H16N2O3/c1-6-7(11-12(4)8(6)13)5-10(2,3)9(14)15/h11H,5H2,1-4H3,(H,14,15)
InChIKeyNSEOSDWZKCIBFC-UHFFFAOYSA-N
XLogP0.68
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-tert-butyl-2-methyl-5-propyl-1H-pyrazol-3-one
CID 156397892
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
3-Methyl-3-(5-oxo-1,2-dihydropyrazol-3-yl)butanoic acid
CID 83846896
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
2,2-dimethyl-3-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
CID 83847835
3-methyl-3-(2-methyl-3-oxo-1H-pyrazol-5-yl)butanoic acid
CID 83847836

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid (CID 83857027) is 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid is Cc1c(CC(C)(C)C(=O)O)[nH]n(C)c1=O.
What is the InChIKey of 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid?
The InChIKey is NSEOSDWZKCIBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6-7(11-12(4)8(6)13)5-10(2,3)9(14)15/h11H,5H2,1-4H3,(H,14,15).
What are the key properties of 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid?
3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid has a molecular weight of 212.25 g/mol, XLogP of 0.68, 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)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 83857027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).