5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol

C23H27N3O3 — CID 135774822

IUPAC5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol
SMILESC[C@@H]1CN(CCOc2ccc(-c3[nH]ncc3-c3ccccc3)c(O)c2)C[C@@H](C)O1
InChIInChI=1S/C23H27N3O3/c1-16-14-26(15-17(2)29-16)10-11-28-19-8-9-20(22(27)12-19)23-21(13-24-25-23)18-6-4-3-5-7-18/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3,(H,24,25)/t16-,17-/m1/s1
InChIKeyCTPRCYPDKCSGRM-IAGOWNOFSA-N
MW393.49 g/mol
LogP3.94
Rot. Bonds6

About 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol

5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol (PubChem CID 135774822) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol
PubChem CID135774822
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol
SMILESC[C@@H]1CN(CCOc2ccc(-c3[nH]ncc3-c3ccccc3)c(O)c2)C[C@@H](C)O1
InChIInChI=1S/C23H27N3O3/c1-16-14-26(15-17(2)29-16)10-11-28-19-8-9-20(22(27)12-19)23-21(13-24-25-23)18-6-4-3-5-7-18/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3,(H,24,25)/t16-,17-/m1/s1
InChIKeyCTPRCYPDKCSGRM-IAGOWNOFSA-N
XLogP3.94
TPSA70.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol with MolForge

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Related Compounds

1-[2-[4-[4-(4-bromophenyl)-1H-pyrazol-5-yl]-3-hydroxyphenoxy]ethyl]piperidine-4-carboxamide
CID 135652610
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
CID 7412761
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
CID 175940913
[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935770
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 56807387

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol?
The IUPAC name of 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol (CID 135774822) is 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol is C[C@@H]1CN(CCOc2ccc(-c3[nH]ncc3-c3ccccc3)c(O)c2)C[C@@H](C)O1.
What is the InChIKey of 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol?
The InChIKey is CTPRCYPDKCSGRM-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-14-26(15-17(2)29-16)10-11-28-19-8-9-20(22(27)12-19)23-21(13-24-25-23)18-6-4-3-5-7-18/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3,(H,24,25)/t16-,17-/m1/s1.
What are the key properties of 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol?
5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol has a molecular weight of 393.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 135774822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).