4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile

C19H24N4O2 — CID 95286132

IUPAC4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile
SMILESCc1cnn(C[C@@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)c1
InChIInChI=1S/C19H24N4O2/c1-16-12-21-23(13-16)15-19-14-22(8-10-25-19)7-2-9-24-18-5-3-17(11-20)4-6-18/h3-6,12-13,19H,2,7-10,14-15H2,1H3/t19-/m0/s1
InChIKeyGOCGMBQHKLTDIO-IBGZPJMESA-N
MW340.43 g/mol
LogP2.23
Rot. Bonds7

About 4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile

4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile (PubChem CID 95286132) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile.

Molecular Properties

Compound Name4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile
PubChem CID95286132
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile
SMILESCc1cnn(C[C@@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)c1
InChIInChI=1S/C19H24N4O2/c1-16-12-21-23(13-16)15-19-14-22(8-10-25-19)7-2-9-24-18-5-3-17(11-20)4-6-18/h3-6,12-13,19H,2,7-10,14-15H2,1H3/t19-/m0/s1
InChIKeyGOCGMBQHKLTDIO-IBGZPJMESA-N
XLogP2.23
TPSA63.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-bromophenoxy)ethoxy]-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 138959921
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide
CID 95293347
(2R)-1-(4-fluorophenoxy)-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 100841995
1-(4-chlorophenoxy)-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 138959888
1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
CID 95285675
4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile
CID 92983510
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
CID 95301599
1-[4-[2-hydroxy-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]phenyl]ethanone
CID 138959906
(2S)-4-ethyl-2-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine
CID 95766645
1-[4-[2-hydroxy-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]phenyl]ethanone;hydrochloride
CID 138959905
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95283767

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile?
The IUPAC name of 4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile (CID 95286132) is 4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile.
What is the SMILES notation for 4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile?
The canonical SMILES for 4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile is Cc1cnn(C[C@@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)c1.
What is the InChIKey of 4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile?
The InChIKey is GOCGMBQHKLTDIO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O2/c1-16-12-21-23(13-16)15-19-14-22(8-10-25-19)7-2-9-24-18-5-3-17(11-20)4-6-18/h3-6,12-13,19H,2,7-10,14-15H2,1H3/t19-/m0/s1.
What are the key properties of 4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile?
4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile has a molecular weight of 340.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]benzonitrile is sourced from PubChem (CID 95286132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).