3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid

C10H15N3O2 — CID 105462907

IUPAC3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid
SMILESCC(Cc1cnn(C2CNC2)c1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-7(10(14)15)2-8-3-12-13(6-8)9-4-11-5-9/h3,6-7,9,11H,2,4-5H2,1H3,(H,14,15)
InChIKeyOGKUWWQMDHIONG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.29
Rot. Bonds4

About 3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid

3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid (PubChem CID 105462907) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid
PubChem CID105462907
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid
SMILESCC(Cc1cnn(C2CNC2)c1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-7(10(14)15)2-8-3-12-13(6-8)9-4-11-5-9/h3,6-7,9,11H,2,4-5H2,1H3,(H,14,15)
InChIKeyOGKUWWQMDHIONG-UHFFFAOYSA-N
XLogP0.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid (CID 105462907) is 3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid is CC(Cc1cnn(C2CNC2)c1)C(=O)O.
What is the InChIKey of 3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid?
The InChIKey is OGKUWWQMDHIONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(10(14)15)2-8-3-12-13(6-8)9-4-11-5-9/h3,6-7,9,11H,2,4-5H2,1H3,(H,14,15).
What are the key properties of 3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid?
3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 105462907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).