(2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine

C16H19F2N3O2 — CID 124545101

IUPAC(2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESFC(F)Oc1ccccc1CN1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C16H19F2N3O2/c17-16(18)23-15-5-2-1-4-13(15)10-20-8-9-22-14(11-20)12-21-7-3-6-19-21/h1-7,14,16H,8-12H2/t14-/m1/s1
InChIKeyXGYZDJAQJXOUKM-CQSZACIVSA-N
MW323.34 g/mol
LogP2.39
Rot. Bonds6

About (2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine

(2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 124545101) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is (2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID124545101
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name(2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESFC(F)Oc1ccccc1CN1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C16H19F2N3O2/c17-16(18)23-15-5-2-1-4-13(15)10-20-8-9-22-14(11-20)12-21-7-3-6-19-21/h1-7,14,16H,8-12H2/t14-/m1/s1
InChIKeyXGYZDJAQJXOUKM-CQSZACIVSA-N
XLogP2.39
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 122150903
(2R)-4-[(2,3-difluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)-1,4-oxazepane
CID 99933659
2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
CID 95283741
(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841885
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
(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
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
CID 95279147
(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)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 124545101) is (2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine is FC(F)Oc1ccccc1CN1CCO[C@@H](Cn2cccn2)C1.
What is the InChIKey of (2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is XGYZDJAQJXOUKM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c17-16(18)23-15-5-2-1-4-13(15)10-20-8-9-22-14(11-20)12-21-7-3-6-19-21/h1-7,14,16H,8-12H2/t14-/m1/s1.
What are the key properties of (2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 323.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 124545101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).