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

C10H16N2O3 — CID 83857026

IUPAC3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-3-methylbutanoic acid
SMILESCc1c(C(C)(C)CC(=O)O)[nH]n(C)c1=O
InChIInChI=1S/C10H16N2O3/c1-6-8(11-12(4)9(6)15)10(2,3)5-7(13)14/h11H,5H2,1-4H3,(H,13,14)
InChIKeyFZOMBEQMACRWEK-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.77
Rot. Bonds3

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

3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-3-methylbutanoic acid (PubChem CID 83857026) 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)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-3-methylbutanoic acid
PubChem CID83857026
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-3-methylbutanoic acid
SMILESCc1c(C(C)(C)CC(=O)O)[nH]n(C)c1=O
InChIInChI=1S/C10H16N2O3/c1-6-8(11-12(4)9(6)15)10(2,3)5-7(13)14/h11H,5H2,1-4H3,(H,13,14)
InChIKeyFZOMBEQMACRWEK-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
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-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
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
3-(1,2-Dimethyl-5-oxopyrazol-3-yl)-3-methylbutanoic acid
CID 83856729
3-(1,2-Dimethyl-5-oxopyrazol-3-yl)-2,2-dimethylpropanoic acid
CID 83856730
3-Methyl-3-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)butanoic acid
CID 83856972

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-3-methylbutanoic acid?
The IUPAC name of 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-3-methylbutanoic acid (CID 83857026) is 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-3-methylbutanoic acid?
The canonical SMILES for 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-3-methylbutanoic acid is Cc1c(C(C)(C)CC(=O)O)[nH]n(C)c1=O.
What is the InChIKey of 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-3-methylbutanoic acid?
The InChIKey is FZOMBEQMACRWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6-8(11-12(4)9(6)15)10(2,3)5-7(13)14/h11H,5H2,1-4H3,(H,13,14).
What are the key properties of 3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-3-methylbutanoic acid?
3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-3-methylbutanoic acid has a molecular weight of 212.25 g/mol, XLogP of 0.77, 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)-3-methylbutanoic acid is sourced from PubChem (CID 83857026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).