azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone

C13H17N3O — CID 52973016

IUPACazetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CCC1
InChIInChI=1S/C13H17N3O/c17-13(16-7-4-8-16)12-9-11(14-15-12)10-5-2-1-3-6-10/h1-3,5-6,11-12,14-15H,4,7-9H2
InChIKeyKKKLCBDQQUMLKW-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.83
Rot. Bonds2

About azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone

azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone (PubChem CID 52973016) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
PubChem CID52973016
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Nameazetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CCC1
InChIInChI=1S/C13H17N3O/c17-13(16-7-4-8-16)12-9-11(14-15-12)10-5-2-1-3-6-10/h1-3,5-6,11-12,14-15H,4,7-9H2
InChIKeyKKKLCBDQQUMLKW-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 76985388
[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
CID 52987319
[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone
CID 74623681
(5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 44509797
2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52990007
[2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]methanone
CID 75355053
(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 133110178
(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 133269656
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 77115341
3-[1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 134081008
[5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 75138331

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone?
The IUPAC name of azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone (CID 52973016) is azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone?
The canonical SMILES for azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone is O=C(C1CC(c2ccccc2)NN1)N1CCC1.
What is the InChIKey of azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone?
The InChIKey is KKKLCBDQQUMLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(16-7-4-8-16)12-9-11(14-15-12)10-5-2-1-3-6-10/h1-3,5-6,11-12,14-15H,4,7-9H2.
What are the key properties of azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone?
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone has a molecular weight of 231.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 52973016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).