1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone

C11H18N4O2 — CID 81483915

IUPAC1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone
SMILESCC(N)C1CN(C(=O)Cn2cccn2)CCO1
InChIInChI=1S/C11H18N4O2/c1-9(12)10-7-14(5-6-17-10)11(16)8-15-4-2-3-13-15/h2-4,9-10H,5-8,12H2,1H3
InChIKeyJGGKGQPGUXBAKJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.54
Rot. Bonds3

About 1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone

1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone (PubChem CID 81483915) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone
PubChem CID81483915
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone
SMILESCC(N)C1CN(C(=O)Cn2cccn2)CCO1
InChIInChI=1S/C11H18N4O2/c1-9(12)10-7-14(5-6-17-10)11(16)8-15-4-2-3-13-15/h2-4,9-10H,5-8,12H2,1H3
InChIKeyJGGKGQPGUXBAKJ-UHFFFAOYSA-N
XLogP-0.54
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-aminoethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 81484438
(2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide
CID 124999570
1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone
CID 42508590
1-[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-2-pyrazol-1-ylethanone
CID 110271881
1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 81424795
(2R)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 119880996
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(2-chlorophenyl)ethanone
CID 81485233
1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 99849466
2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one
CID 131134178
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 81485227
1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81483913

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone (CID 81483915) is 1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone is CC(N)C1CN(C(=O)Cn2cccn2)CCO1.
What is the InChIKey of 1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone?
The InChIKey is JGGKGQPGUXBAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-9(12)10-7-14(5-6-17-10)11(16)8-15-4-2-3-13-15/h2-4,9-10H,5-8,12H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone?
1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone has a molecular weight of 238.29 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 81483915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).