methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate

C12H19N3O3 — CID 75426549

IUPACmethyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2cnn(C)c2)C[C@@H](C)O1
InChIInChI=1S/C12H19N3O3/c1-9-5-15(7-10-4-13-14(2)6-10)8-11(18-9)12(16)17-3/h4,6,9,11H,5,7-8H2,1-3H3/t9-,11?/m1/s1
InChIKeyRJKABVYFYGFKPE-BFHBGLAWSA-N
MW253.30 g/mol
LogP0.18
Rot. Bonds3

About methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate

methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate (PubChem CID 75426549) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
PubChem CID75426549
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2cnn(C)c2)C[C@@H](C)O1
InChIInChI=1S/C12H19N3O3/c1-9-5-15(7-10-4-13-14(2)6-10)8-11(18-9)12(16)17-3/h4,6,9,11H,5,7-8H2,1-3H3/t9-,11?/m1/s1
InChIKeyRJKABVYFYGFKPE-BFHBGLAWSA-N
XLogP0.18
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 102936721
methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate
CID 97064939
methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate
CID 97064914
methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate
CID 127003930
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 118770404
methyl (2R,6R)-4-[(3-cyano-4-fluorophenyl)methyl]-6-methylmorpholine-2-carboxylate
CID 97320861
methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate
CID 97059746
4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63722146
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate
CID 97064900
methyl (2R,6R)-6-methyl-4-(2-pyridin-2-ylethyl)morpholine-2-carboxylate
CID 97064912
2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64616119

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate?
The IUPAC name of methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate (CID 75426549) is methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate?
The canonical SMILES for methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate is COC(=O)C1CN(Cc2cnn(C)c2)C[C@@H](C)O1.
What is the InChIKey of methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate?
The InChIKey is RJKABVYFYGFKPE-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-5-15(7-10-4-13-14(2)6-10)8-11(18-9)12(16)17-3/h4,6,9,11H,5,7-8H2,1-3H3/t9-,11?/m1/s1.
What are the key properties of methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate?
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate is sourced from PubChem (CID 75426549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).