(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

C15H18N6O — CID 133269656

IUPAC(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CC(n2ccnn2)C1
InChIInChI=1S/C15H18N6O/c22-15(20-9-12(10-20)21-7-6-16-19-21)14-8-13(17-18-14)11-4-2-1-3-5-11/h1-7,12-14,17-18H,8-10H2
InChIKeyGCWQVQDCIDGXGV-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.27
Rot. Bonds3

About (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (PubChem CID 133269656) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
PubChem CID133269656
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CC(n2ccnn2)C1
InChIInChI=1S/C15H18N6O/c22-15(20-9-12(10-20)21-7-6-16-19-21)14-8-13(17-18-14)11-4-2-1-3-5-11/h1-7,12-14,17-18H,8-10H2
InChIKeyGCWQVQDCIDGXGV-UHFFFAOYSA-N
XLogP0.27
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 133110178
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 76985388
(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 75281188
(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 75281242
2-bicyclo[2.2.1]hept-5-enyl-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 121154855
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 154755631
(2S)-2-phenyl-1-[3-(triazol-1-yl)azetidin-1-yl]butan-1-one
CID 129352862
3-[1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 134081008
2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52990007
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 75605811

Frequently Asked Questions

What is the IUPAC name of (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (CID 133269656) is (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is O=C(C1CC(c2ccccc2)NN1)N1CC(n2ccnn2)C1.
What is the InChIKey of (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is GCWQVQDCIDGXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c22-15(20-9-12(10-20)21-7-6-16-19-21)14-8-13(17-18-14)11-4-2-1-3-5-11/h1-7,12-14,17-18H,8-10H2.
What are the key properties of (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 133269656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).