3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one

C13H22N4O2 — CID 103002033

IUPAC3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCn1nccc1CCNCCC(=O)N1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-16-12(3-7-15-16)2-5-14-6-4-13(18)17-8-10-19-11-9-17/h3,7,14H,2,4-6,8-11H2,1H3
InChIKeyPEQGDTHPSXDQRY-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.20
Rot. Bonds6

About 3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one

3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 103002033) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID103002033
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCn1nccc1CCNCCC(=O)N1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-16-12(3-7-15-16)2-5-14-6-4-13(18)17-8-10-19-11-9-17/h3,7,14H,2,4-6,8-11H2,1H3
InChIKeyPEQGDTHPSXDQRY-UHFFFAOYSA-N
XLogP-0.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone
CID 103006184
1-morpholin-4-yl-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109015660
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 156605985
3-[(4-hydroxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112685039
3-[(3-chloro-4-methylphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 106817088
4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
CID 107703692
3-[(5-bromo-2-pyridinyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115626598
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109016693
3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 103001512

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one (CID 103002033) is 3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one is Cn1nccc1CCNCCC(=O)N1CCOCC1.
What is the InChIKey of 3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is PEQGDTHPSXDQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16-12(3-7-15-16)2-5-14-6-4-13(18)17-8-10-19-11-9-17/h3,7,14H,2,4-6,8-11H2,1H3.
What are the key properties of 3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 266.34 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 103002033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).