N-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide

C17H24N4O3 — CID 86573449

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide
SMILESCC1C(NC(=O)CN2CCOCC2)C(=O)N(c2ccccc2)N1C
InChIInChI=1S/C17H24N4O3/c1-13-16(18-15(22)12-20-8-10-24-11-9-20)17(23)21(19(13)2)14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3,(H,18,22)
InChIKeyOWCRUWBJQROWGW-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.09
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide (PubChem CID 86573449) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide
PubChem CID86573449
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide
SMILESCC1C(NC(=O)CN2CCOCC2)C(=O)N(c2ccccc2)N1C
InChIInChI=1S/C17H24N4O3/c1-13-16(18-15(22)12-20-8-10-24-11-9-20)17(23)21(19(13)2)14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3,(H,18,22)
InChIKeyOWCRUWBJQROWGW-UHFFFAOYSA-N
XLogP0.09
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide (CID 86573449) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide is CC1C(NC(=O)CN2CCOCC2)C(=O)N(c2ccccc2)N1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide?
The InChIKey is OWCRUWBJQROWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13-16(18-15(22)12-20-8-10-24-11-9-20)17(23)21(19(13)2)14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3,(H,18,22).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide has a molecular weight of 332.40 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazolidin-4-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 86573449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).