(2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide

C11H18N4O2 — CID 86800094

IUPAC(2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccnn2C)C[C@H](C)O1
InChIInChI=1S/C11H18N4O2/c1-8-6-15(7-9(2)17-8)11(16)13-10-4-5-12-14(10)3/h4-5,8-9H,6-7H2,1-3H3,(H,13,16)/t8-,9+
InChIKeyHIGOQTKMAGYXSB-DTORHVGOSA-N
MW238.29 g/mol
LogP1.06
Rot. Bonds1

About (2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide

(2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide (PubChem CID 86800094) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
PubChem CID86800094
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccnn2C)C[C@H](C)O1
InChIInChI=1S/C11H18N4O2/c1-8-6-15(7-9(2)17-8)11(16)13-10-4-5-12-14(10)3/h4-5,8-9H,6-7H2,1-3H3,(H,13,16)/t8-,9+
InChIKeyHIGOQTKMAGYXSB-DTORHVGOSA-N
XLogP1.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide?
The IUPAC name of (2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide (CID 86800094) is (2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide is C[C@@H]1CN(C(=O)Nc2ccnn2C)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide?
The InChIKey is HIGOQTKMAGYXSB-DTORHVGOSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-6-15(7-9(2)17-8)11(16)13-10-4-5-12-14(10)3/h4-5,8-9H,6-7H2,1-3H3,(H,13,16)/t8-,9+.
What are the key properties of (2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide?
(2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide is sourced from PubChem (CID 86800094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).