(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol

C17H23N3O2 — CID 100841955

IUPAC(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
SMILESC[C@](O)(CN1CCO[C@@H](Cn2cccn2)C1)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-17(21,15-6-3-2-4-7-15)14-19-10-11-22-16(12-19)13-20-9-5-8-18-20/h2-9,16,21H,10-14H2,1H3/t16-,17+/m1/s1
InChIKeyFPSQLANPEHPXBZ-SJORKVTESA-N
MW301.39 g/mol
LogP1.49
Rot. Bonds5

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

(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol (PubChem CID 100841955) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
PubChem CID100841955
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
SMILESC[C@](O)(CN1CCO[C@@H](Cn2cccn2)C1)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-17(21,15-6-3-2-4-7-15)14-19-10-11-22-16(12-19)13-20-9-5-8-18-20/h2-9,16,21H,10-14H2,1H3/t16-,17+/m1/s1
InChIKeyFPSQLANPEHPXBZ-SJORKVTESA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-1-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 56780681
(2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95610148
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol
CID 113251778
(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841885
methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
CID 79827517
(2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95295560
(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 98172915
(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277519
(2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279128
(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95281618
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 95288616
(2R)-4-[(1-phenyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95280498

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The IUPAC name of (2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol (CID 100841955) is (2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The canonical SMILES for (2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol is C[C@](O)(CN1CCO[C@@H](Cn2cccn2)C1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The InChIKey is FPSQLANPEHPXBZ-SJORKVTESA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(21,15-6-3-2-4-7-15)14-19-10-11-22-16(12-19)13-20-9-5-8-18-20/h2-9,16,21H,10-14H2,1H3/t16-,17+/m1/s1.
What are the key properties of (2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol is sourced from PubChem (CID 100841955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).