1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile

C16H17ClN4O — CID 155577047

IUPAC1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CC2CNC(Cc3ccc(Cl)cc3)CO2)c1
InChIInChI=1S/C16H17ClN4O/c17-14-3-1-12(2-4-14)5-15-11-22-16(8-19-15)10-21-9-13(6-18)7-20-21/h1-4,7,9,15-16,19H,5,8,10-11H2
InChIKeyWKEBJNDPSWCICF-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.01
Rot. Bonds4

About 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile

1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile (PubChem CID 155577047) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile
PubChem CID155577047
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CC2CNC(Cc3ccc(Cl)cc3)CO2)c1
InChIInChI=1S/C16H17ClN4O/c17-14-3-1-12(2-4-14)5-15-11-22-16(8-19-15)10-21-9-13(6-18)7-20-21/h1-4,7,9,15-16,19H,5,8,10-11H2
InChIKeyWKEBJNDPSWCICF-UHFFFAOYSA-N
XLogP2.01
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(2S)-oxiran-2-yl]methyl]pyrazole-4-carbonitrile
CID 126982877
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine
CID 163211298
1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one
CID 155577011
(2R,5S)-2-(azidomethyl)-5-[(4-chlorophenyl)methyl]morpholine;[1-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]triazol-4-yl]-trimethylsilane;hydrochloride
CID 158560711
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride
CID 155765890
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine
CID 170360871
(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine
CID 169042690
ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate
CID 170364767
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine
CID 155765827
(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol
CID 170360607
1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]prop-2-yn-1-one
CID 155577166
methyl 3-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methylsulfonyl]propanoate
CID 169321080

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile (CID 155577047) is 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile is N#Cc1cnn(CC2CNC(Cc3ccc(Cl)cc3)CO2)c1.
What is the InChIKey of 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile?
The InChIKey is WKEBJNDPSWCICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-14-3-1-12(2-4-14)5-15-11-22-16(8-19-15)10-21-9-13(6-18)7-20-21/h1-4,7,9,15-16,19H,5,8,10-11H2.
What are the key properties of 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile?
1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile has a molecular weight of 316.79 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 155577047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).