(2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine

C22H25N3O — CID 95557695

IUPAC(2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine
SMILESc1ccc(CC[C@H]2CN(Cc3ccccc3-n3cccn3)CCO2)cc1
InChIInChI=1S/C22H25N3O/c1-2-7-19(8-3-1)11-12-21-18-24(15-16-26-21)17-20-9-4-5-10-22(20)25-14-6-13-23-25/h1-10,13-14,21H,11-12,15-18H2/t21-/m0/s1
InChIKeyWIFMYZHFSDQBMD-NRFANRHFSA-N
MW347.46 g/mol
LogP3.71
Rot. Bonds6

About (2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine

(2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine (PubChem CID 95557695) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine
PubChem CID95557695
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine
SMILESc1ccc(CC[C@H]2CN(Cc3ccccc3-n3cccn3)CCO2)cc1
InChIInChI=1S/C22H25N3O/c1-2-7-19(8-3-1)11-12-21-18-24(15-16-26-21)17-20-9-4-5-10-22(20)25-14-6-13-23-25/h1-10,13-14,21H,11-12,15-18H2/t21-/m0/s1
InChIKeyWIFMYZHFSDQBMD-NRFANRHFSA-N
XLogP3.71
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-phenylethyl)-4-(thiophen-2-ylmethyl)morpholine
CID 28767913
4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2-phenylethyl)morpholine
CID 56877602
4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
CID 97157965
2-oxo-2-[3-[[(2S)-2-(2-phenylethyl)morpholin-4-yl]methyl]pyrrolo[2,3-b]pyridin-1-yl]oxyacetic acid
CID 67727243
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673
(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95281618
3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
CID 70726892
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine
CID 120902311
[4-[[2-(methoxymethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114397886
(2R)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70159870

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine?
The IUPAC name of (2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine (CID 95557695) is (2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine?
The canonical SMILES for (2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine is c1ccc(CC[C@H]2CN(Cc3ccccc3-n3cccn3)CCO2)cc1.
What is the InChIKey of (2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine?
The InChIKey is WIFMYZHFSDQBMD-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-7-19(8-3-1)11-12-21-18-24(15-16-26-21)17-20-9-4-5-10-22(20)25-14-6-13-23-25/h1-10,13-14,21H,11-12,15-18H2/t21-/m0/s1.
What are the key properties of (2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine?
(2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine has a molecular weight of 347.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine is sourced from PubChem (CID 95557695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).