2-methyl-2-pyrazol-1-ylpropanoic acid

C7H10N2O2 — CID 2763345

IUPAC2-methyl-2-pyrazol-1-ylpropanoic acid
SMILESCC(C)(C(=O)O)n1cccn1
InChIInChI=1S/C7H10N2O2/c1-7(2,6(10)11)9-5-3-4-8-9/h3-5H,1-2H3,(H,10,11)
InChIKeySZGVDJHDIPSUSA-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.70
Rot. Bonds2

About 2-methyl-2-pyrazol-1-ylpropanoic acid

2-methyl-2-pyrazol-1-ylpropanoic acid (PubChem CID 2763345) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-methyl-2-pyrazol-1-ylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-pyrazol-1-ylpropanoic acid
PubChem CID2763345
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-methyl-2-pyrazol-1-ylpropanoic acid
SMILESCC(C)(C(=O)O)n1cccn1
InChIInChI=1S/C7H10N2O2/c1-7(2,6(10)11)9-5-3-4-8-9/h3-5H,1-2H3,(H,10,11)
InChIKeySZGVDJHDIPSUSA-UHFFFAOYSA-N
XLogP0.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-pyrazol-1-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alpha-amino-1H-pyrazole-1-propanoic acid
CID 119630
2-(5-methyl-1H-pyrazol-1-yl)propanoic acid
CID 6485706
1H-Pyrazol-1-ylacetic acid
CID 3717462
Pyrazole-1-butyric acid
CID 3066548
beta-Pyrazol-1-ylalanine
CID 151491
3-(1H-pyrazol-1-yl)propanoic acid
CID 1092972
3-(1H-Pyrazol-1-yl)butanoic acid
CID 3159310
2-methyl-3-(1H-pyrazol-1-yl)propanoic acid
CID 6483897
2-(1H-Pyrazol-1-yl)propanoic acid
CID 16793133
2-(4-methyl-1H-pyrazol-1-yl)acetic acid
CID 6485345
2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 7017278
2-(4-Methyl-Pyrazol-1-Yl)-Propionic Acid
CID 17024576

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyrazol-1-ylpropanoic acid?
The IUPAC name of 2-methyl-2-pyrazol-1-ylpropanoic acid (CID 2763345) is 2-methyl-2-pyrazol-1-ylpropanoic acid.
What is the SMILES notation for 2-methyl-2-pyrazol-1-ylpropanoic acid?
The canonical SMILES for 2-methyl-2-pyrazol-1-ylpropanoic acid is CC(C)(C(=O)O)n1cccn1.
What is the InChIKey of 2-methyl-2-pyrazol-1-ylpropanoic acid?
The InChIKey is SZGVDJHDIPSUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-7(2,6(10)11)9-5-3-4-8-9/h3-5H,1-2H3,(H,10,11).
What are the key properties of 2-methyl-2-pyrazol-1-ylpropanoic acid?
2-methyl-2-pyrazol-1-ylpropanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrazol-1-ylpropanoic acid is sourced from PubChem (CID 2763345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).