(2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide

C13H22N4O3 — CID 94156989

IUPAC(2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCOCCn1cc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cn1
InChIInChI=1S/C13H22N4O3/c1-10-7-16(8-11(2)20-10)13(18)15-12-6-14-17(9-12)4-5-19-3/h6,9-11H,4-5,7-8H2,1-3H3,(H,15,18)/t10-,11-/m0/s1
InChIKeyUXDXKDMVTRHNIG-QWRGUYRKSA-N
MW282.34 g/mol
LogP1.17
Rot. Bonds4

About (2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide

(2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 94156989) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID94156989
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name(2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCOCCn1cc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cn1
InChIInChI=1S/C13H22N4O3/c1-10-7-16(8-11(2)20-10)13(18)15-12-6-14-17(9-12)4-5-19-3/h6,9-11H,4-5,7-8H2,1-3H3,(H,15,18)/t10-,11-/m0/s1
InChIKeyUXDXKDMVTRHNIG-QWRGUYRKSA-N
XLogP1.17
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81118704
(3aS,6aR)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122052754
4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide
CID 136526815
4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 55835475
N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-1-carboxamide
CID 81257970
(2S,4S)-4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 128979339
4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 55835858
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 47076609
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
2-(cyclopentylamino)-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 54928520
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide (CID 94156989) is (2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide is COCCn1cc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cn1.
What is the InChIKey of (2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is UXDXKDMVTRHNIG-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10-7-16(8-11(2)20-10)13(18)15-12-6-14-17(9-12)4-5-19-3/h6,9-11H,4-5,7-8H2,1-3H3,(H,15,18)/t10-,11-/m0/s1.
What are the key properties of (2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide?
(2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 94156989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).