2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid

C9H14N2O2 — CID 103132397

IUPAC2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid
SMILESCC(C(=O)O)C(C)c1ccn(C)n1
InChIInChI=1S/C9H14N2O2/c1-6(7(2)9(12)13)8-4-5-11(3)10-8/h4-7H,1-3H3,(H,12,13)
InChIKeyZQCDGLLKZODNOV-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.24
Rot. Bonds3

About 2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid

2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid (PubChem CID 103132397) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid
PubChem CID103132397
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid
SMILESCC(C(=O)O)C(C)c1ccn(C)n1
InChIInChI=1S/C9H14N2O2/c1-6(7(2)9(12)13)8-4-5-11(3)10-8/h4-7H,1-3H3,(H,12,13)
InChIKeyZQCDGLLKZODNOV-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-4-(1-methylpyrazol-3-yl)butanoic acid
CID 82882518
2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 59693997
1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
CID 130453998
2-amino-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 82595674
benzyl 2-(1-methylpyrazol-3-yl)propanoate
CID 173104596
1-methyl-3-(1-methylsulfanylethyl)pyrazole
CID 138460770
3,5-dimethyl-7-(1-methylpyrazol-3-yl)octane-2,6-dione
CID 18710358
tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate
CID 130470626
2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid
CID 55007522
1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
CID 125451251
3-but-3-en-2-yl-1-methylpyrazole
CID 138553537
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid?
The IUPAC name of 2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid (CID 103132397) is 2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid.
What is the SMILES notation for 2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid?
The canonical SMILES for 2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid is CC(C(=O)O)C(C)c1ccn(C)n1.
What is the InChIKey of 2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid?
The InChIKey is ZQCDGLLKZODNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(7(2)9(12)13)8-4-5-11(3)10-8/h4-7H,1-3H3,(H,12,13).
What are the key properties of 2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid?
2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methylpyrazol-3-yl)butanoic acid is sourced from PubChem (CID 103132397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).