5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole

C12H17N5 — CID 114721945

IUPAC5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole
SMILESc1cnn(CCCn2cncc2C2CNC2)c1
InChIInChI=1S/C12H17N5/c1-3-15-17(5-1)6-2-4-16-10-14-9-12(16)11-7-13-8-11/h1,3,5,9-11,13H,2,4,6-8H2
InChIKeyCYBBAQVCVHMCDT-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.86
Rot. Bonds5

About 5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole

5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole (PubChem CID 114721945) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole
PubChem CID114721945
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole
SMILESc1cnn(CCCn2cncc2C2CNC2)c1
InChIInChI=1S/C12H17N5/c1-3-15-17(5-1)6-2-4-16-10-14-9-12(16)11-7-13-8-11/h1,3,5,9-11,13H,2,4,6-8H2
InChIKeyCYBBAQVCVHMCDT-UHFFFAOYSA-N
XLogP0.86
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole (CID 114721945) is 5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole is c1cnn(CCCn2cncc2C2CNC2)c1.
What is the InChIKey of 5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole?
The InChIKey is CYBBAQVCVHMCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-15-17(5-1)6-2-4-16-10-14-9-12(16)11-7-13-8-11/h1,3,5,9-11,13H,2,4,6-8H2.
What are the key properties of 5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole?
5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole has a molecular weight of 231.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole is sourced from PubChem (CID 114721945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).