(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone

C16H17Cl2N3O2 — CID 95196647

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H17Cl2N3O2/c1-2-21-15(13(18)9-19-21)16(22)20-7-8-23-14(10-20)11-3-5-12(17)6-4-11/h3-6,9,14H,2,7-8,10H2,1H3/t14-/m0/s1
InChIKeyURSXCZGCBZXBSI-AWEZNQCLSA-N
MW354.24 g/mol
LogP3.42
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone

(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone (PubChem CID 95196647) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
PubChem CID95196647
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H17Cl2N3O2/c1-2-21-15(13(18)9-19-21)16(22)20-7-8-23-14(10-20)11-3-5-12(17)6-4-11/h3-6,9,14H,2,7-8,10H2,1H3/t14-/m0/s1
InChIKeyURSXCZGCBZXBSI-AWEZNQCLSA-N
XLogP3.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064
[2-(4-chlorophenyl)morpholin-4-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 56746635
(4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19478958
[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
CID 47341691
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 86859216
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-ethylpyrazol-4-yl)methanone
CID 56755726
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone
CID 129346071
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone (CID 95196647) is (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone is CCn1ncc(Cl)c1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone?
The InChIKey is URSXCZGCBZXBSI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-2-21-15(13(18)9-19-21)16(22)20-7-8-23-14(10-20)11-3-5-12(17)6-4-11/h3-6,9,14H,2,7-8,10H2,1H3/t14-/m0/s1.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone?
(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone has a molecular weight of 354.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95196647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).