[5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone

C18H21N3O3 — CID 78153988

IUPAC[5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(C1CC(c2ccco2)NN1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H21N3O3/c22-18(15-11-14(19-20-15)16-7-4-9-23-16)21-8-10-24-17(12-21)13-5-2-1-3-6-13/h1-7,9,14-15,17,19-20H,8,10-12H2
InChIKeyILAVVOJYBQGCOZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.79
Rot. Bonds3

About [5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone

[5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone (PubChem CID 78153988) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone
PubChem CID78153988
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(C1CC(c2ccco2)NN1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H21N3O3/c22-18(15-11-14(19-20-15)16-7-4-9-23-16)21-8-10-24-17(12-21)13-5-2-1-3-6-13/h1-7,9,14-15,17,19-20H,8,10-12H2
InChIKeyILAVVOJYBQGCOZ-UHFFFAOYSA-N
XLogP1.79
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone
CID 133108026
[2-(4-fluorophenyl)cyclopropyl]-(2-phenylmorpholin-4-yl)methanone
CID 134040067
1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 74659925
(2-phenylmorpholin-4-yl)-piperidin-2-ylmethanone
CID 60962617
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 97201180
2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 60949473
[(2S)-oxolan-2-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 51710322
[5-(furan-2-yl)pyrazolidin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 74580952
1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 76985388
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-phenylmorpholin-4-yl)methanone
CID 119703767
1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124567918

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of [5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone (CID 78153988) is [5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone is O=C(C1CC(c2ccco2)NN1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of [5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is ILAVVOJYBQGCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-18(15-11-14(19-20-15)16-7-4-9-23-16)21-8-10-24-17(12-21)13-5-2-1-3-6-13/h1-7,9,14-15,17,19-20H,8,10-12H2.
What are the key properties of [5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone?
[5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 327.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 78153988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).