3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid

C12H19N3O2 — CID 105499187

IUPAC3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid
SMILESCC(C)N1CC(n2nccc2CCC(=O)O)C1
InChIInChI=1S/C12H19N3O2/c1-9(2)14-7-11(8-14)15-10(5-6-13-15)3-4-12(16)17/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyBGIAHBSRYZULPF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.17
Rot. Bonds5

About 3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid

3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid (PubChem CID 105499187) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid
PubChem CID105499187
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid
SMILESCC(C)N1CC(n2nccc2CCC(=O)O)C1
InChIInChI=1S/C12H19N3O2/c1-9(2)14-7-11(8-14)15-10(5-6-13-15)3-4-12(16)17/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyBGIAHBSRYZULPF-UHFFFAOYSA-N
XLogP1.17
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-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-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid (CID 105499187) is 3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid is CC(C)N1CC(n2nccc2CCC(=O)O)C1.
What is the InChIKey of 3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid?
The InChIKey is BGIAHBSRYZULPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)14-7-11(8-14)15-10(5-6-13-15)3-4-12(16)17/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid?
3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 105499187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).