1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole

C16H19N3O3 — CID 56781195

IUPAC1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole
SMILESc1cnn(C2CN(CCCOc3ccc4c(c3)OCO4)C2)c1
InChIInChI=1S/C16H19N3O3/c1-5-17-19(7-1)13-10-18(11-13)6-2-8-20-14-3-4-15-16(9-14)22-12-21-15/h1,3-5,7,9,13H,2,6,8,10-12H2
InChIKeyJHIZEFNDWQHONN-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.94
Rot. Bonds6

About 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole

1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole (PubChem CID 56781195) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole.

Molecular Properties

Compound Name1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole
PubChem CID56781195
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole
SMILESc1cnn(C2CN(CCCOc3ccc4c(c3)OCO4)C2)c1
InChIInChI=1S/C16H19N3O3/c1-5-17-19(7-1)13-10-18(11-13)6-2-8-20-14-3-4-15-16(9-14)22-12-21-15/h1,3-5,7,9,13H,2,6,8,10-12H2
InChIKeyJHIZEFNDWQHONN-UHFFFAOYSA-N
XLogP1.94
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-(1,3-benzodioxol-5-yloxy)propyl]piperazin-1-yl]pyrimidine
CID 13309342
1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole
CID 22038018
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
3-(1,3-benzodioxol-5-yloxy)propane-1-sulfonate
CID 20593635
2-[(3S)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 73348098
3-[3-(1,3-benzodioxol-5-yloxy)propyl]quinazolin-4-one
CID 60593195
(3aR,5R,6R,7aS)-2-[3-(4-fluorophenoxy)propyl]-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172664071
2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine
CID 82353580
(2S)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]-2-ethylpiperidine
CID 52771462
7-[[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-3-yl]methyl]-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][3]benzazepin-6-one
CID 54079753
2-[4-[3-(1,3-benzodioxol-5-yloxy)propyl]-1,4-diazepan-1-yl]-1H-benzimidazole
CID 86892533
3-[2-(1,3-benzodioxol-5-yloxy)ethoxy]aniline
CID 39372047

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole?
The IUPAC name of 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole (CID 56781195) is 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole.
What is the SMILES notation for 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole?
The canonical SMILES for 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole is c1cnn(C2CN(CCCOc3ccc4c(c3)OCO4)C2)c1.
What is the InChIKey of 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole?
The InChIKey is JHIZEFNDWQHONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-5-17-19(7-1)13-10-18(11-13)6-2-8-20-14-3-4-15-16(9-14)22-12-21-15/h1,3-5,7,9,13H,2,6,8,10-12H2.
What are the key properties of 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole?
1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole has a molecular weight of 301.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole is sourced from PubChem (CID 56781195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).