(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide

C17H22N4O2 — CID 128983261

IUPAC(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(Cc2cnn(Cc3ccccc3)c2)[C@@H]1C(N)=O
InChIInChI=1S/C17H22N4O2/c1-13-16(17(18)22)20(7-8-23-13)10-15-9-19-21(12-15)11-14-5-3-2-4-6-14/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H2,18,22)/t13-,16+/m1/s1
InChIKeySZWGUHCCYJXFRA-CJNGLKHVSA-N
MW314.39 g/mol
LogP1.01
Rot. Bonds5

About (2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 128983261) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide
PubChem CID128983261
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(Cc2cnn(Cc3ccccc3)c2)[C@@H]1C(N)=O
InChIInChI=1S/C17H22N4O2/c1-13-16(17(18)22)20(7-8-23-13)10-15-9-19-21(12-15)11-14-5-3-2-4-6-14/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H2,18,22)/t13-,16+/m1/s1
InChIKeySZWGUHCCYJXFRA-CJNGLKHVSA-N
XLogP1.01
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate
CID 86651574
(2S,3S)-4-benzyl-2,3-dimethylmorpholine
CID 118558682
(2R,3S)-2-methyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholine-3-carboxamide
CID 128987044
(2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide
CID 126987751
(2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983267
2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 122235493
1-[(1-benzylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125500
[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134704142
4-benzyl-3-methylmorpholin-2-amine
CID 154296445
5-(1-benzylpyrazol-4-yl)-3-oxopentanamide
CID 166794222
(2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine
CID 59896106
1-[(1-benzylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691484

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide (CID 128983261) is (2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN(Cc2cnn(Cc3ccccc3)c2)[C@@H]1C(N)=O.
What is the InChIKey of (2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is SZWGUHCCYJXFRA-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-16(17(18)22)20(7-8-23-13)10-15-9-19-21(12-15)11-14-5-3-2-4-6-14/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H2,18,22)/t13-,16+/m1/s1.
What are the key properties of (2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 128983261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).