[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone

C19H25N3O3 — CID 128978537

IUPAC[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
SMILESCOCC1CN(C(=O)c2ccc(-n3nccc3C)cc2)CC(C)(C)O1
InChIInChI=1S/C19H25N3O3/c1-14-9-10-20-22(14)16-7-5-15(6-8-16)18(23)21-11-17(12-24-4)25-19(2,3)13-21/h5-10,17H,11-13H2,1-4H3
InChIKeyVYGKZLLYDLHCPW-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.45
Rot. Bonds4

About [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone

[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone (PubChem CID 128978537) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
PubChem CID128978537
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
SMILESCOCC1CN(C(=O)c2ccc(-n3nccc3C)cc2)CC(C)(C)O1
InChIInChI=1S/C19H25N3O3/c1-14-9-10-20-22(14)16-7-5-15(6-8-16)18(23)21-11-17(12-24-4)25-19(2,3)13-21/h5-10,17H,11-13H2,1-4H3
InChIKeyVYGKZLLYDLHCPW-UHFFFAOYSA-N
XLogP2.45
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone
CID 128978746
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone
CID 129484804
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 129485933
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 128978788
furan-3-yl-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 129485837
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylpyridazin-4-yl)methanone
CID 154744784
(3,5-dimethylfuran-2-yl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 128978502
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 128978740
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-quinolin-6-ylmethanone
CID 128978468
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 129484739
[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(triazol-1-yl)phenyl]methanone
CID 129484539

Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone (CID 128978537) is [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone is COCC1CN(C(=O)c2ccc(-n3nccc3C)cc2)CC(C)(C)O1.
What is the InChIKey of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
The InChIKey is VYGKZLLYDLHCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-9-10-20-22(14)16-7-5-15(6-8-16)18(23)21-11-17(12-24-4)25-19(2,3)13-21/h5-10,17H,11-13H2,1-4H3.
What are the key properties of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 128978537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).