(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine

C17H21N3O — CID 98172915

IUPAC(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESC(=C\c1ccccc1)\CN1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C17H21N3O/c1-2-6-16(7-3-1)8-4-10-19-12-13-21-17(14-19)15-20-11-5-9-18-20/h1-9,11,17H,10,12-15H2/b8-4-/t17-/m1/s1
InChIKeyJNZNYPMPQJOJFE-RLXIPRIJSA-N
MW283.38 g/mol
LogP2.30
Rot. Bonds5

About (2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine

(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 98172915) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID98172915
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESC(=C\c1ccccc1)\CN1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C17H21N3O/c1-2-6-16(7-3-1)8-4-10-19-12-13-21-17(14-19)15-20-11-5-9-18-20/h1-9,11,17H,10,12-15H2/b8-4-/t17-/m1/s1
InChIKeyJNZNYPMPQJOJFE-RLXIPRIJSA-N
XLogP2.30
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(E)-3-phenylprop-2-enyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95348630
(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841885
(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100841955
2-methyl-4-(3-phenylprop-2-enyl)morpholine
CID 165349535
(2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95295560
methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate
CID 75361746
(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
(2R)-4-[(1-phenyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95280498
(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95281618
(2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 124545101
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 98172915) is (2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine is C(=C\c1ccccc1)\CN1CCO[C@@H](Cn2cccn2)C1.
What is the InChIKey of (2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is JNZNYPMPQJOJFE-RLXIPRIJSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-6-16(7-3-1)8-4-10-19-12-13-21-17(14-19)15-20-11-5-9-18-20/h1-9,11,17H,10,12-15H2/b8-4-/t17-/m1/s1.
What are the key properties of (2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 283.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 98172915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).