[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone

C19H25N3O3 — CID 128978788

IUPAC[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCOCC1CN(C(=O)c2cnn(-c3ccccc3)c2C)CC(C)(C)O1
InChIInChI=1S/C19H25N3O3/c1-14-17(10-20-22(14)15-8-6-5-7-9-15)18(23)21-11-16(12-24-4)25-19(2,3)13-21/h5-10,16H,11-13H2,1-4H3
InChIKeyHAUFODIOBUKVCR-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.45
Rot. Bonds4

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

[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 128978788) 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]-(5-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID128978788
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCOCC1CN(C(=O)c2cnn(-c3ccccc3)c2C)CC(C)(C)O1
InChIInChI=1S/C19H25N3O3/c1-14-17(10-20-22(14)15-8-6-5-7-9-15)18(23)21-11-16(12-24-4)25-19(2,3)13-21/h5-10,16H,11-13H2,1-4H3
InChIKeyHAUFODIOBUKVCR-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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Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (CID 128978788) is [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone is COCC1CN(C(=O)c2cnn(-c3ccccc3)c2C)CC(C)(C)O1.
What is the InChIKey of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is HAUFODIOBUKVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-17(10-20-22(14)15-8-6-5-7-9-15)18(23)21-11-16(12-24-4)25-19(2,3)13-21/h5-10,16H,11-13H2,1-4H3.
What are the key properties of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)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]-(5-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 128978788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).