2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid

C9H14N2O2 — CID 83828501

IUPAC2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid
SMILESCCC(C)(C(=O)O)c1ccnn1C
InChIInChI=1S/C9H14N2O2/c1-4-9(2,8(12)13)7-5-6-10-11(7)3/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyXHHQBHISJWTPQA-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.17
Rot. Bonds3

About 2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid

2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid (PubChem CID 83828501) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid
PubChem CID83828501
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid
SMILESCCC(C)(C(=O)O)c1ccnn1C
InChIInChI=1S/C9H14N2O2/c1-4-9(2,8(12)13)7-5-6-10-11(7)3/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyXHHQBHISJWTPQA-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid?
The IUPAC name of 2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid (CID 83828501) is 2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid?
The canonical SMILES for 2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid is CCC(C)(C(=O)O)c1ccnn1C.
What is the InChIKey of 2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid?
The InChIKey is XHHQBHISJWTPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-9(2,8(12)13)7-5-6-10-11(7)3/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid?
2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid is sourced from PubChem (CID 83828501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).