[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone

C12H19N3O3 — CID 128964827

IUPAC[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOCC1CN(C(=O)c2ccn[nH]2)CC(C)(C)O1
InChIInChI=1S/C12H19N3O3/c1-12(2)8-15(6-9(18-12)7-17-3)11(16)10-4-5-13-14-10/h4-5,9H,6-8H2,1-3H3,(H,13,14)
InChIKeyZTWLHQBINUDEJA-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.68
Rot. Bonds3

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

[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 128964827) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID128964827
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOCC1CN(C(=O)c2ccn[nH]2)CC(C)(C)O1
InChIInChI=1S/C12H19N3O3/c1-12(2)8-15(6-9(18-12)7-17-3)11(16)10-4-5-13-14-10/h4-5,9H,6-8H2,1-3H3,(H,13,14)
InChIKeyZTWLHQBINUDEJA-UHFFFAOYSA-N
XLogP0.68
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone (CID 128964827) is [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone is COCC1CN(C(=O)c2ccn[nH]2)CC(C)(C)O1.
What is the InChIKey of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is ZTWLHQBINUDEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2)8-15(6-9(18-12)7-17-3)11(16)10-4-5-13-14-10/h4-5,9H,6-8H2,1-3H3,(H,13,14).
What are the key properties of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 253.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 128964827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).