2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile

C15H15FN4O — CID 95278458

IUPAC2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCO[C@H](Cn2cccn2)C1
InChIInChI=1S/C15H15FN4O/c16-14-3-1-4-15(13(14)9-17)19-7-8-21-12(10-19)11-20-6-2-5-18-20/h1-6,12H,7-8,10-11H2/t12-/m0/s1
InChIKeyPPBYUPLKORLDJQ-LBPRGKRZSA-N
MW286.31 g/mol
LogP1.80
Rot. Bonds3

About 2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile

2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile (PubChem CID 95278458) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile
PubChem CID95278458
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCO[C@H](Cn2cccn2)C1
InChIInChI=1S/C15H15FN4O/c16-14-3-1-4-15(13(14)9-17)19-7-8-21-12(10-19)11-20-6-2-5-18-20/h1-6,12H,7-8,10-11H2/t12-/m0/s1
InChIKeyPPBYUPLKORLDJQ-LBPRGKRZSA-N
XLogP1.80
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-6-fluorobenzonitrile
CID 129344122
5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile
CID 95281695
4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile
CID 133443381
1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile
CID 95278508
2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
CID 125129782
(2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 99859516
4-(8-bromoquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133281976
2-bromo-6-(2-ethylmorpholin-4-yl)benzonitrile
CID 114880634
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
CID 95283741
2-fluoro-6-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 129005614
(2R)-4-[(2,3-difluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)-1,4-oxazepane
CID 99933659

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile (CID 95278458) is 2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile is N#Cc1c(F)cccc1N1CCO[C@H](Cn2cccn2)C1.
What is the InChIKey of 2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile?
The InChIKey is PPBYUPLKORLDJQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-14-3-1-4-15(13(14)9-17)19-7-8-21-12(10-19)11-20-6-2-5-18-20/h1-6,12H,7-8,10-11H2/t12-/m0/s1.
What are the key properties of 2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile?
2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile has a molecular weight of 286.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile is sourced from PubChem (CID 95278458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).