2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine

C16H30N4O — CID 45189418

IUPAC2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine
SMILESCCn1nc(C)c(CN2CCOC(CCN(C)C)C2)c1C
InChIInChI=1S/C16H30N4O/c1-6-20-14(3)16(13(2)17-20)12-19-9-10-21-15(11-19)7-8-18(4)5/h15H,6-12H2,1-5H3
InChIKeyPJYVSWKWTGSHHH-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.67
Rot. Bonds6

About 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine

2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine (PubChem CID 45189418) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine
PubChem CID45189418
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine
SMILESCCn1nc(C)c(CN2CCOC(CCN(C)C)C2)c1C
InChIInChI=1S/C16H30N4O/c1-6-20-14(3)16(13(2)17-20)12-19-9-10-21-15(11-19)7-8-18(4)5/h15H,6-12H2,1-5H3
InChIKeyPJYVSWKWTGSHHH-UHFFFAOYSA-N
XLogP1.67
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-(3-methylbut-2-enyl)morpholine
CID 53558746
4-(Cyclopentylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 53567282
1-Methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56728245
1-Ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56730044
(2-methoxyethyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 42281907
3-(trimethyl-1H-pyrazol-4-yl)morpholine
CID 71695346
N-[(1R*,5S*,6r*)-3-azabicyclo[3.1.0]hex-6-ylmethyl]-2-methoxy-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 77081957
4-{3-[4,5-Bis(3-morpholin-4-ylprop-1-ynyl)-1-methylpyrazol-3-yl]prop-2-ynyl}mo rpholine
CID 4397577
3-{ethyl[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}propane-1,2-diol
CID 46988918
1-{[1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}piperidine-3-carbonitrile
CID 77093882
9-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 86791613
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 95333828

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine (CID 45189418) is 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine is CCn1nc(C)c(CN2CCOC(CCN(C)C)C2)c1C.
What is the InChIKey of 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine?
The InChIKey is PJYVSWKWTGSHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-6-20-14(3)16(13(2)17-20)12-19-9-10-21-15(11-19)7-8-18(4)5/h15H,6-12H2,1-5H3.
What are the key properties of 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine?
2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine has a molecular weight of 294.44 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 45189418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).