(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol

C17H23N3O2 — CID 100841984

IUPAC(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol
SMILESCc1cnn(C[C@H]2CN(C[C@@H](O)c3ccccc3)CCO2)c1
InChIInChI=1S/C17H23N3O2/c1-14-9-18-20(10-14)12-16-11-19(7-8-22-16)13-17(21)15-5-3-2-4-6-15/h2-6,9-10,16-17,21H,7-8,11-13H2,1H3/t16-,17-/m1/s1
InChIKeyIUVSIRYJEJFYSC-IAGOWNOFSA-N
MW301.39 g/mol
LogP1.63
Rot. Bonds5

About (1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol

(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol (PubChem CID 100841984) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol
PubChem CID100841984
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol
SMILESCc1cnn(C[C@H]2CN(C[C@@H](O)c3ccccc3)CCO2)c1
InChIInChI=1S/C17H23N3O2/c1-14-9-18-20(10-14)12-16-11-19(7-8-22-16)13-17(21)15-5-3-2-4-6-15/h2-6,9-10,16-17,21H,7-8,11-13H2,1H3/t16-,17-/m1/s1
InChIKeyIUVSIRYJEJFYSC-IAGOWNOFSA-N
XLogP1.63
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841885
1-(4-chlorophenoxy)-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 138959888
(2R)-1-(4-fluorophenoxy)-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 100841995
(1R)-1-(3,4-dimethylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841952
(2S)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129425582
1-[4-[2-hydroxy-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]phenyl]ethanone
CID 138959906
1-[4-[2-hydroxy-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]phenyl]ethanone;hydrochloride
CID 138959905
1-[2-(4-bromophenoxy)ethoxy]-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 138959921
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
CID 95301599
1-(2,3-dihydro-1H-inden-5-yloxy)-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 138959898
(1S)-1-(4-fluorophenyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 95329376
N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862249

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol (CID 100841984) is (1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol is Cc1cnn(C[C@H]2CN(C[C@@H](O)c3ccccc3)CCO2)c1.
What is the InChIKey of (1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol?
The InChIKey is IUVSIRYJEJFYSC-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-14-9-18-20(10-14)12-16-11-19(7-8-22-16)13-17(21)15-5-3-2-4-6-15/h2-6,9-10,16-17,21H,7-8,11-13H2,1H3/t16-,17-/m1/s1.
What are the key properties of (1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol?
(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol has a molecular weight of 301.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol is sourced from PubChem (CID 100841984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).