(2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine

C9H15N3O — CID 177322255

IUPAC(2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
SMILESC[C@H]1CNC[C@@H](c2cnn(C)c2)O1
InChIInChI=1S/C9H15N3O/c1-7-3-10-5-9(13-7)8-4-11-12(2)6-8/h4,6-7,9-10H,3,5H2,1-2H3/t7-,9-/m0/s1
InChIKeyWKAPTYARJGILQS-CBAPKCEASA-N
MW181.24 g/mol
LogP0.47
Rot. Bonds1

About (2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine

(2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine (PubChem CID 177322255) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
PubChem CID177322255
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
SMILESC[C@H]1CNC[C@@H](c2cnn(C)c2)O1
InChIInChI=1S/C9H15N3O/c1-7-3-10-5-9(13-7)8-4-11-12(2)6-8/h4,6-7,9-10H,3,5H2,1-2H3/t7-,9-/m0/s1
InChIKeyWKAPTYARJGILQS-CBAPKCEASA-N
XLogP0.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-(1-methylpyrazol-4-yl)morpholine
CID 177151428
2,4-dimethyl-6-(1-methylpyrazol-4-yl)morpholine
CID 177322360
(2S)-2-(1-methylpyrazol-4-yl)-1,4-oxazepane
CID 96749778
1-methyl-4-[(2R)-oxiran-2-yl]pyrazole
CID 83129463
(2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine
CID 168887975
(2S,6S)-2-methyl-6-phenylmorpholine
CID 36689632
2-methyl-6-(4-phenylphenyl)morpholine
CID 43367004
5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine
CID 66242871
(2S,6R)-2-[1-(methoxymethyl)pyrazol-4-yl]-6-methylmorpholine;4-methylbenzenesulfonic acid
CID 174216123
2-[4-(difluoromethyl)phenyl]-6-methylmorpholine
CID 115525669
(2R,6R)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39242999
(2S,6S)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39243005

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of (2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine (CID 177322255) is (2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for (2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine is C[C@H]1CNC[C@@H](c2cnn(C)c2)O1.
What is the InChIKey of (2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is WKAPTYARJGILQS-CBAPKCEASA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-3-10-5-9(13-7)8-4-11-12(2)6-8/h4,6-7,9-10H,3,5H2,1-2H3/t7-,9-/m0/s1.
What are the key properties of (2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine?
(2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 181.24 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 177322255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).