1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine

C16H22N4O — CID 81497211

IUPAC1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(Cc2ccc(-n3cccn3)cc2)CCO1
InChIInChI=1S/C16H22N4O/c1-13(17)16-12-19(9-10-21-16)11-14-3-5-15(6-4-14)20-8-2-7-18-20/h2-8,13,16H,9-12,17H2,1H3
InChIKeyREMGSNLTZOBMAE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.42
Rot. Bonds4

About 1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine

1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine (PubChem CID 81497211) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine
PubChem CID81497211
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(Cc2ccc(-n3cccn3)cc2)CCO1
InChIInChI=1S/C16H22N4O/c1-13(17)16-12-19(9-10-21-16)11-14-3-5-15(6-4-14)20-8-2-7-18-20/h2-8,13,16H,9-12,17H2,1H3
InChIKeyREMGSNLTZOBMAE-UHFFFAOYSA-N
XLogP1.42
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491103
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
1-[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490139
1-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491183
1-[4-[(4-bromo-3-chlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 114077089
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide
CID 115314944
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
CID 79868378
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine
CID 113284985
1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine
CID 115315468
4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 103576557

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine (CID 81497211) is 1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine is CC(N)C1CN(Cc2ccc(-n3cccn3)cc2)CCO1.
What is the InChIKey of 1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine?
The InChIKey is REMGSNLTZOBMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(17)16-12-19(9-10-21-16)11-14-3-5-15(6-4-14)20-8-2-7-18-20/h2-8,13,16H,9-12,17H2,1H3.
What are the key properties of 1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine?
1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 81497211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).