1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone

C12H20N4O2 — CID 114398270

IUPAC1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2CCOC(CN)C2)n1
InChIInChI=1S/C12H20N4O2/c1-9-5-10(2)16(14-9)8-12(17)15-3-4-18-11(6-13)7-15/h5,11H,3-4,6-8,13H2,1-2H3
InChIKeyQKVNDKBVLXMFKZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.31
Rot. Bonds3

About 1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone

1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 114398270) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID114398270
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2CCOC(CN)C2)n1
InChIInChI=1S/C12H20N4O2/c1-9-5-10(2)16(14-9)8-12(17)15-3-4-18-11(6-13)7-15/h5,11H,3-4,6-8,13H2,1-2H3
InChIKeyQKVNDKBVLXMFKZ-UHFFFAOYSA-N
XLogP-0.31
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pentan-1-one
CID 120565469
1-[2-(azepane-1-carbonyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 110246407
4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037840
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704456
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124943524
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124940115
1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
CID 95274182
2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65418529
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 114398267
6-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 126792693
1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone (CID 114398270) is 1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone is Cc1cc(C)n(CC(=O)N2CCOC(CN)C2)n1.
What is the InChIKey of 1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is QKVNDKBVLXMFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-5-10(2)16(14-9)8-12(17)15-3-4-18-11(6-13)7-15/h5,11H,3-4,6-8,13H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone?
1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 252.32 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 114398270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).