(2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide

C12H20N4O2 — CID 99828515

IUPAC(2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1nn(C)cc1NC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H20N4O2/c1-8-5-16(6-9(2)18-8)12(17)13-11-7-15(4)14-10(11)3/h7-9H,5-6H2,1-4H3,(H,13,17)/t8-,9+
InChIKeyXYTNVEKVWICKDJ-DTORHVGOSA-N
MW252.32 g/mol
LogP1.37
Rot. Bonds1

About (2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide

(2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 99828515) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID99828515
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1nn(C)cc1NC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H20N4O2/c1-8-5-16(6-9(2)18-8)12(17)13-11-7-15(4)14-10(11)3/h7-9H,5-6H2,1-4H3,(H,13,17)/t8-,9+
InChIKeyXYTNVEKVWICKDJ-DTORHVGOSA-N
XLogP1.37
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide (CID 99828515) is (2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide is Cc1nn(C)cc1NC(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is XYTNVEKVWICKDJ-DTORHVGOSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-5-16(6-9(2)18-8)12(17)13-11-7-15(4)14-10(11)3/h7-9H,5-6H2,1-4H3,(H,13,17)/t8-,9+.
What are the key properties of (2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide?
(2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 99828515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).