2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid

C10H16N2O2 — CID 83831191

IUPAC2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)c1cc(C)nn1C
InChIInChI=1S/C10H16N2O2/c1-5-10(3,9(13)14)8-6-7(2)11-12(8)4/h6H,5H2,1-4H3,(H,13,14)
InChIKeyLPDHQUXPAVRCIU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.48
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid

2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid (PubChem CID 83831191) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid
PubChem CID83831191
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)c1cc(C)nn1C
InChIInChI=1S/C10H16N2O2/c1-5-10(3,9(13)14)8-6-7(2)11-12(8)4/h6H,5H2,1-4H3,(H,13,14)
InChIKeyLPDHQUXPAVRCIU-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid
CID 83828501
2-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-ethylbutanoic acid
CID 79809719
5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole
CID 135170466
2-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanoic acid
CID 62403777
2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 110836652
2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487225
5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole
CID 135170462
2-(2,5-dimethylpyrazol-3-yl)sulfanylacetic acid
CID 62409331
2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid
CID 83830381
5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(methylamino)pentanoic acid
CID 55071207
2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid
CID 130545057
2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylbutan-1-ol
CID 66058323

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid (CID 83831191) is 2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid is CCC(C)(C(=O)O)c1cc(C)nn1C.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid?
The InChIKey is LPDHQUXPAVRCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-10(3,9(13)14)8-6-7(2)11-12(8)4/h6H,5H2,1-4H3,(H,13,14).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid?
2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid is sourced from PubChem (CID 83831191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).