2-(1H-pyrazol-5-yl)propanoic acid

C6H8N2O2 — CID 22367851

IUPAC2-(1H-pyrazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccn[nH]1
InChIInChI=1S/C6H8N2O2/c1-4(6(9)10)5-2-3-7-8-5/h2-4H,1H3,(H,7,8)(H,9,10)
InChIKeyXZDSKXFVPQUCOL-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.60
Rot. Bonds2

About 2-(1H-pyrazol-5-yl)propanoic acid

2-(1H-pyrazol-5-yl)propanoic acid (PubChem CID 22367851) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)propanoic acid
PubChem CID22367851
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-(1H-pyrazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccn[nH]1
InChIInChI=1S/C6H8N2O2/c1-4(6(9)10)5-2-3-7-8-5/h2-4H,1H3,(H,7,8)(H,9,10)
InChIKeyXZDSKXFVPQUCOL-UHFFFAOYSA-N
XLogP0.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of 2-(1H-pyrazol-5-yl)propanoic acid (CID 22367851) is 2-(1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-(1H-pyrazol-5-yl)propanoic acid is CC(C(=O)O)c1ccn[nH]1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)propanoic acid?
The InChIKey is XZDSKXFVPQUCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4(6(9)10)5-2-3-7-8-5/h2-4H,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-(1H-pyrazol-5-yl)propanoic acid?
2-(1H-pyrazol-5-yl)propanoic acid has a molecular weight of 140.14 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 22367851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).