4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile

C16H18N4O — CID 95277532

IUPAC4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCO[C@@H](Cn3cccn3)C2)cc1
InChIInChI=1S/C16H18N4O/c17-10-14-2-4-15(5-3-14)11-19-8-9-21-16(12-19)13-20-7-1-6-18-20/h1-7,16H,8-9,11-13H2/t16-/m1/s1
InChIKeyGMZOBIFLZQRBIY-MRXNPFEDSA-N
MW282.35 g/mol
LogP1.66
Rot. Bonds4

About 4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile

4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile (PubChem CID 95277532) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
PubChem CID95277532
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCO[C@@H](Cn3cccn3)C2)cc1
InChIInChI=1S/C16H18N4O/c17-10-14-2-4-15(5-3-14)11-19-8-9-21-16(12-19)13-20-7-1-6-18-20/h1-7,16H,8-9,11-13H2/t16-/m1/s1
InChIKeyGMZOBIFLZQRBIY-MRXNPFEDSA-N
XLogP1.66
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
CID 95283741
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842
4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881847
(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289806
(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
4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 122150903
(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278646
3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
CID 95299116
(2R)-4-[(5-methylpyrazin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279141
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
CID 95279147
(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277519

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile (CID 95277532) is 4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCO[C@@H](Cn3cccn3)C2)cc1.
What is the InChIKey of 4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile?
The InChIKey is GMZOBIFLZQRBIY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N4O/c17-10-14-2-4-15(5-3-14)11-19-8-9-21-16(12-19)13-20-7-1-6-18-20/h1-7,16H,8-9,11-13H2/t16-/m1/s1.
What are the key properties of 4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile?
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile has a molecular weight of 282.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 95277532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).