2-(5-methylpyrazol-1-yl)propanoic acid

C7H10N2O2 — CID 6485706

IUPAC2-(5-methylpyrazol-1-yl)propanoic acid
SMILESCc1ccnn1C(C)C(=O)O
InChIInChI=1S/C7H10N2O2/c1-5-3-4-8-9(5)6(2)7(10)11/h3-4,6H,1-2H3,(H,10,11)
InChIKeyCBZGESBWHSGWLK-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.84
Rot. Bonds2

About 2-(5-methylpyrazol-1-yl)propanoic acid

2-(5-methylpyrazol-1-yl)propanoic acid (PubChem CID 6485706) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)propanoic acid
PubChem CID6485706
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(5-methylpyrazol-1-yl)propanoic acid
SMILESCc1ccnn1C(C)C(=O)O
InChIInChI=1S/C7H10N2O2/c1-5-3-4-8-9(5)6(2)7(10)11/h3-4,6H,1-2H3,(H,10,11)
InChIKeyCBZGESBWHSGWLK-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-methylpyrazol-1-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)propanoic acid?
The IUPAC name of 2-(5-methylpyrazol-1-yl)propanoic acid (CID 6485706) is 2-(5-methylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)propanoic acid is Cc1ccnn1C(C)C(=O)O.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)propanoic acid?
The InChIKey is CBZGESBWHSGWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-3-4-8-9(5)6(2)7(10)11/h3-4,6H,1-2H3,(H,10,11).
What are the key properties of 2-(5-methylpyrazol-1-yl)propanoic acid?
2-(5-methylpyrazol-1-yl)propanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 6485706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).