(2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide

C12H20N4O2 — CID 120941752

IUPAC(2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)CCn1cccn1
InChIInChI=1S/C12H20N4O2/c1-10-11(13-5-9-18-10)12(17)15(2)7-8-16-6-3-4-14-16/h3-4,6,10-11,13H,5,7-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyCSQUMAMBXGGUFE-MNOVXSKESA-N
MW252.32 g/mol
LogP-0.28
Rot. Bonds4

About (2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide

(2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide (PubChem CID 120941752) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide
PubChem CID120941752
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)CCn1cccn1
InChIInChI=1S/C12H20N4O2/c1-10-11(13-5-9-18-10)12(17)15(2)7-8-16-6-3-4-14-16/h3-4,6,10-11,13H,5,7-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyCSQUMAMBXGGUFE-MNOVXSKESA-N
XLogP-0.28
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide (CID 120941752) is (2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)N(C)CCn1cccn1.
What is the InChIKey of (2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide?
The InChIKey is CSQUMAMBXGGUFE-MNOVXSKESA-N. The full InChI is InChI=1S/C12H20N4O2/c1-10-11(13-5-9-18-10)12(17)15(2)7-8-16-6-3-4-14-16/h3-4,6,10-11,13H,5,7-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide?
(2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide is sourced from PubChem (CID 120941752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).