1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride

C13H23ClN4O2 — CID 120704456

IUPAC1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCOC(Cn2nc(C)cc2C)C1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-10-6-11(2)17(15-10)9-12-8-16(4-5-19-12)13(18)7-14-3;/h6,12,14H,4-5,7-9H2,1-3H3;1H
InChIKeyHQQJMLKVEHNICV-UHFFFAOYSA-N
MW302.81 g/mol
LogP0.37
Rot. Bonds4

About 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride (PubChem CID 120704456) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
PubChem CID120704456
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCOC(Cn2nc(C)cc2C)C1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-10-6-11(2)17(15-10)9-12-8-16(4-5-19-12)13(18)7-14-3;/h6,12,14H,4-5,7-9H2,1-3H3;1H
InChIKeyHQQJMLKVEHNICV-UHFFFAOYSA-N
XLogP0.37
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 50.37
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-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 114398270
1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
CID 95274182
6-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 126792693
(2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 100842044
5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine-4-carbonyl]-2-fluoro-N-propan-2-ylbenzenesulfonamide
CID 146075885
4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide
CID 133443391
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124940115
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide
CID 95276667
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 95284417
4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037840
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
CID 167893332

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride (CID 120704456) is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride is CNCC(=O)N1CCOC(Cn2nc(C)cc2C)C1.Cl.
What is the InChIKey of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride?
The InChIKey is HQQJMLKVEHNICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-10-6-11(2)17(15-10)9-12-8-16(4-5-19-12)13(18)7-14-3;/h6,12,14H,4-5,7-9H2,1-3H3;1H.
What are the key properties of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride?
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 120704456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).