3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile

C18H20N4O3 — CID 124741580

IUPAC3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile
SMILESCOCCn1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)n1
InChIInChI=1S/C18H20N4O3/c1-24-9-8-22-6-5-16(20-22)18(23)21-7-10-25-17(13-21)15-4-2-3-14(11-15)12-19/h2-6,11,17H,7-10,13H2,1H3/t17-/m1/s1
InChIKeyWRYSFWPNVVIPKQ-QGZVFWFLSA-N
MW340.38 g/mol
LogP1.61
Rot. Bonds5

About 3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile

3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile (PubChem CID 124741580) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile
PubChem CID124741580
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile
SMILESCOCCn1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)n1
InChIInChI=1S/C18H20N4O3/c1-24-9-8-22-6-5-16(20-22)18(23)21-7-10-25-17(13-21)15-4-2-3-14(11-15)12-19/h2-6,11,17H,7-10,13H2,1H3/t17-/m1/s1
InChIKeyWRYSFWPNVVIPKQ-QGZVFWFLSA-N
XLogP1.61
TPSA80.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile
CID 155954220
(2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 124884126
[(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
CID 136583079
3-[(2S)-4-(3-pyrimidin-4-ylpropanoyl)morpholin-2-yl]benzonitrile
CID 124741803
3-[(2R)-4-(3-pyrimidin-4-ylpropanoyl)morpholin-2-yl]benzonitrile
CID 124741802
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
CID 124952383
4-[[[2-(3-cyanophenyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122020926
3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile
CID 124883023
3-[4-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)morpholin-2-yl]benzonitrile
CID 166189536
(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 129393763
(1-propylpyrazol-3-yl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124955626
3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile
CID 124887188

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile?
The IUPAC name of 3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile (CID 124741580) is 3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile.
What is the SMILES notation for 3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile?
The canonical SMILES for 3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile is COCCn1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)n1.
What is the InChIKey of 3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile?
The InChIKey is WRYSFWPNVVIPKQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-24-9-8-22-6-5-16(20-22)18(23)21-7-10-25-17(13-21)15-4-2-3-14(11-15)12-19/h2-6,11,17H,7-10,13H2,1H3/t17-/m1/s1.
What are the key properties of 3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile?
3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile has a molecular weight of 340.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]morpholin-2-yl]benzonitrile is sourced from PubChem (CID 124741580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).