3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid

C7H8IN3O2 — CID 66867994

IUPAC3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(n2cc(I)cn2)C1
InChIInChI=1S/C7H8IN3O2/c8-5-1-9-11(2-5)6-3-10(4-6)7(12)13/h1-2,6H,3-4H2,(H,12,13)
InChIKeySUBGWALDPWVBOU-UHFFFAOYSA-N
MW293.06 g/mol
LogP1.02
Rot. Bonds1

About 3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid

3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid (PubChem CID 66867994) has the molecular formula C7H8IN3O2 and a molecular weight of 293.06 g/mol. Its IUPAC name is 3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid
PubChem CID66867994
Molecular FormulaC7H8IN3O2
Molecular Weight293.06 g/mol
Exact Mass292.97
IUPAC Name3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(n2cc(I)cn2)C1
InChIInChI=1S/C7H8IN3O2/c8-5-1-9-11(2-5)6-3-10(4-6)7(12)13/h1-2,6H,3-4H2,(H,12,13)
InChIKeySUBGWALDPWVBOU-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid (CID 66867994) is 3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid is O=C(O)N1CC(n2cc(I)cn2)C1.
What is the InChIKey of 3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid?
The InChIKey is SUBGWALDPWVBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3O2/c8-5-1-9-11(2-5)6-3-10(4-6)7(12)13/h1-2,6H,3-4H2,(H,12,13).
What are the key properties of 3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid?
3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid has a molecular weight of 293.06 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid is sourced from PubChem (CID 66867994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).