(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol

C18H25N3O4 — CID 100843595

IUPAC(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
SMILESCOc1ccc(OC[C@@H](O)CN2CCO[C@@H](Cn3cccn3)C2)cc1
InChIInChI=1S/C18H25N3O4/c1-23-16-3-5-17(6-4-16)25-14-15(22)11-20-9-10-24-18(12-20)13-21-8-2-7-19-21/h2-8,15,18,22H,9-14H2,1H3/t15-,18+/m0/s1
InChIKeyLPFGKNNNLYFAST-MAUKXSAKSA-N
MW347.42 g/mol
LogP1.03
Rot. Bonds8

About (2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol

(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol (PubChem CID 100843595) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
PubChem CID100843595
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
SMILESCOc1ccc(OC[C@@H](O)CN2CCO[C@@H](Cn3cccn3)C2)cc1
InChIInChI=1S/C18H25N3O4/c1-23-16-3-5-17(6-4-16)25-14-15(22)11-20-9-10-24-18(12-20)13-21-8-2-7-19-21/h2-8,15,18,22H,9-14H2,1H3/t15-,18+/m0/s1
InChIKeyLPFGKNNNLYFAST-MAUKXSAKSA-N
XLogP1.03
TPSA68.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100842326
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95329378
1-[4-[2-hydroxy-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]phenyl]ethanone
CID 138959906
(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841885
[4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 42862313
1-[4-[2-hydroxy-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]phenyl]ethanone;hydrochloride
CID 138959905
(1R)-1-(3,4-dimethylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841952
(2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94176327
(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
CID 92985064
1-(2-tert-butyl-4-methoxyphenoxy)-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol;hydrochloride
CID 138959874

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The IUPAC name of (2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol (CID 100843595) is (2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol is COc1ccc(OC[C@@H](O)CN2CCO[C@@H](Cn3cccn3)C2)cc1.
What is the InChIKey of (2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The InChIKey is LPFGKNNNLYFAST-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-23-16-3-5-17(6-4-16)25-14-15(22)11-20-9-10-24-18(12-20)13-21-8-2-7-19-21/h2-8,15,18,22H,9-14H2,1H3/t15-,18+/m0/s1.
What are the key properties of (2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol has a molecular weight of 347.42 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol is sourced from PubChem (CID 100843595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).