3-pyrazol-1-ylpropanoic acid

C6H8N2O2 — CID 1092972

IUPAC3-pyrazol-1-ylpropanoic acid
SMILESO=C(O)CCn1cccn1
InChIInChI=1S/C6H8N2O2/c9-6(10)2-5-8-4-1-3-7-8/h1,3-4H,2,5H2,(H,9,10)
InChIKeyQSTMEFBMAAWLLV-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.36
Rot. Bonds3

About 3-pyrazol-1-ylpropanoic acid

3-pyrazol-1-ylpropanoic acid (PubChem CID 1092972) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-pyrazol-1-ylpropanoic acid.

Molecular Properties

Compound Name3-pyrazol-1-ylpropanoic acid
PubChem CID1092972
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-pyrazol-1-ylpropanoic acid
SMILESO=C(O)CCn1cccn1
InChIInChI=1S/C6H8N2O2/c9-6(10)2-5-8-4-1-3-7-8/h1,3-4H,2,5H2,(H,9,10)
InChIKeyQSTMEFBMAAWLLV-UHFFFAOYSA-N
XLogP0.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-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

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-ylpropanoic acid?
The IUPAC name of 3-pyrazol-1-ylpropanoic acid (CID 1092972) is 3-pyrazol-1-ylpropanoic acid.
What is the SMILES notation for 3-pyrazol-1-ylpropanoic acid?
The canonical SMILES for 3-pyrazol-1-ylpropanoic acid is O=C(O)CCn1cccn1.
What is the InChIKey of 3-pyrazol-1-ylpropanoic acid?
The InChIKey is QSTMEFBMAAWLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-6(10)2-5-8-4-1-3-7-8/h1,3-4H,2,5H2,(H,9,10).
What are the key properties of 3-pyrazol-1-ylpropanoic acid?
3-pyrazol-1-ylpropanoic acid has a molecular weight of 140.14 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-ylpropanoic acid is sourced from PubChem (CID 1092972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).