3-(1H-pyrazol-5-yl)propanoic acid

C6H8N2O2 — CID 22148958

IUPAC3-(1H-pyrazol-5-yl)propanoic acid
SMILESO=C(O)CCc1ccn[nH]1
InChIInChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-4-7-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKeySPSDYSZCWKVDLE-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.43
Rot. Bonds3

About 3-(1H-pyrazol-5-yl)propanoic acid

3-(1H-pyrazol-5-yl)propanoic acid (PubChem CID 22148958) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)propanoic acid
PubChem CID22148958
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-(1H-pyrazol-5-yl)propanoic acid
SMILESO=C(O)CCc1ccn[nH]1
InChIInChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-4-7-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKeySPSDYSZCWKVDLE-UHFFFAOYSA-N
XLogP0.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1H-pyrazol-5-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 3-(1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of 3-(1H-pyrazol-5-yl)propanoic acid (CID 22148958) is 3-(1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for 3-(1H-pyrazol-5-yl)propanoic acid is O=C(O)CCc1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)propanoic acid?
The InChIKey is SPSDYSZCWKVDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-4-7-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10).
What are the key properties of 3-(1H-pyrazol-5-yl)propanoic acid?
3-(1H-pyrazol-5-yl)propanoic acid has a molecular weight of 140.14 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 22148958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).