2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine

C20H30N4O — CID 26315322

IUPAC2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine
SMILESCc1cc(C)c(CN2CCO[C@@H](CCN(C)C)C2)c(-n2cccn2)c1
InChIInChI=1S/C20H30N4O/c1-16-12-17(2)19(20(13-16)24-8-5-7-21-24)15-23-10-11-25-18(14-23)6-9-22(3)4/h5,7-8,12-13,18H,6,9-11,14-15H2,1-4H3/t18-/m0/s1
InChIKeyJYUHGMNHWDAJKK-SFHVURJKSA-N
MW342.49 g/mol
LogP2.64
Rot. Bonds6

About 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine

2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine (PubChem CID 26315322) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine
PubChem CID26315322
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine
SMILESCc1cc(C)c(CN2CCO[C@@H](CCN(C)C)C2)c(-n2cccn2)c1
InChIInChI=1S/C20H30N4O/c1-16-12-17(2)19(20(13-16)24-8-5-7-21-24)15-23-10-11-25-18(14-23)6-9-22(3)4/h5,7-8,12-13,18H,6,9-11,14-15H2,1-4H3/t18-/m0/s1
InChIKeyJYUHGMNHWDAJKK-SFHVURJKSA-N
XLogP2.64
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-Methylphenyl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylethanethione
CID 2121563
4,5,6,7-tetrahydro-4-(2-(morpholin-4-yl)ethyl)-1-phenyl-1H-indazole
CID 11531451
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
N,N-dimethyl-1-{4-[2-methyl-4-(1H-pyrazol-1-yl)benzyl]-1,4-oxazepan-6-yl}methanamine
CID 56891183
4-[[4-[5,7-Dimethyl-4-(2-methylpyrazol-3-yl)-6-quinolyl]phenyl]methyl]morpholine
CID 126593695
N-[(E)-(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-N-(4-morpholinyl)amine
CID 9553542
(3R)-1-{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-3-pyrrolidinol
CID 25459151
4-{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}morpholine
CID 28697636
4-{[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}morpholine
CID 29085984
2-Methyl-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
CID 42929040
4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 50962738
2-[(4-Methylpyrazol-1-yl)methyl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
CID 53562885

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine (CID 26315322) is 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine is Cc1cc(C)c(CN2CCO[C@@H](CCN(C)C)C2)c(-n2cccn2)c1.
What is the InChIKey of 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine?
The InChIKey is JYUHGMNHWDAJKK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N4O/c1-16-12-17(2)19(20(13-16)24-8-5-7-21-24)15-23-10-11-25-18(14-23)6-9-22(3)4/h5,7-8,12-13,18H,6,9-11,14-15H2,1-4H3/t18-/m0/s1.
What are the key properties of 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine?
2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine has a molecular weight of 342.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 26315322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).