(2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C18H22N4O3 — CID 95737990

IUPAC(2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCn1nc(C)cc1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1
InChIInChI=1S/C18H22N4O3/c1-4-22-14(10-12(2)20-22)19-18(24)17-16(13-8-6-5-7-9-13)21(3)15(23)11-25-17/h5-10,16-17H,4,11H2,1-3H3,(H,19,24)/t16-,17+/m1/s1
InChIKeyFISWIAICZSIBJD-SJORKVTESA-N
MW342.40 g/mol
LogP1.75
Rot. Bonds4

About (2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 95737990) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID95737990
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCn1nc(C)cc1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1
InChIInChI=1S/C18H22N4O3/c1-4-22-14(10-12(2)20-22)19-18(24)17-16(13-8-6-5-7-9-13)21(3)15(23)11-25-17/h5-10,16-17H,4,11H2,1-3H3,(H,19,24)/t16-,17+/m1/s1
InChIKeyFISWIAICZSIBJD-SJORKVTESA-N
XLogP1.75
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 95737990) is (2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CCn1nc(C)cc1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is FISWIAICZSIBJD-SJORKVTESA-N. The full InChI is InChI=1S/C18H22N4O3/c1-4-22-14(10-12(2)20-22)19-18(24)17-16(13-8-6-5-7-9-13)21(3)15(23)11-25-17/h5-10,16-17H,4,11H2,1-3H3,(H,19,24)/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 95737990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).