1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one

C13H21N3O2 — CID 79045435

IUPAC1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCn1nccc1C(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H21N3O2/c1-4-16-11(5-6-14-16)12(17)13(2,3)15-7-9-18-10-8-15/h5-6H,4,7-10H2,1-3H3
InChIKeyWTVJWZMXSHGDSX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.20
Rot. Bonds4

About 1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one

1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 79045435) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID79045435
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCn1nccc1C(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H21N3O2/c1-4-16-11(5-6-14-16)12(17)13(2,3)15-7-9-18-10-8-15/h5-6H,4,7-10H2,1-3H3
InChIKeyWTVJWZMXSHGDSX-UHFFFAOYSA-N
XLogP1.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one (CID 79045435) is 1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one is CCn1nccc1C(=O)C(C)(C)N1CCOCC1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is WTVJWZMXSHGDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-16-11(5-6-14-16)12(17)13(2,3)15-7-9-18-10-8-15/h5-6H,4,7-10H2,1-3H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 79045435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).