[(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C14H23N3O2 — CID 94202787

IUPAC[(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1C[C@H](C)OC(C)(C)C1
InChIInChI=1S/C14H23N3O2/c1-9-7-17(8-14(4,5)19-9)13(18)12-10(2)15-16(6)11(12)3/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyWHQSCJHBFCORPQ-VIFPVBQESA-N
MW265.36 g/mol
LogP1.68
Rot. Bonds1

About [(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 94202787) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID94202787
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1C[C@H](C)OC(C)(C)C1
InChIInChI=1S/C14H23N3O2/c1-9-7-17(8-14(4,5)19-9)13(18)12-10(2)15-16(6)11(12)3/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyWHQSCJHBFCORPQ-VIFPVBQESA-N
XLogP1.68
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 114781110
[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95239411
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 66125060
[(3R)-3-methylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 81427482
(3aS,7aS)-2-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628955
N,N-diethyl-2,2,6-trimethylmorpholine-4-carboxamide
CID 115618659
[4-methyl-4-(methylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 115304418
thiadiazol-4-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 47432669
(4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 121184183
1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethane-1,2-dione
CID 42893000
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62511546

Frequently Asked Questions

What is the IUPAC name of [(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 94202787) is [(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1C[C@H](C)OC(C)(C)C1.
What is the InChIKey of [(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is WHQSCJHBFCORPQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-7-17(8-14(4,5)19-9)13(18)12-10(2)15-16(6)11(12)3/h9H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of [(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 94202787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).