[2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone

C19H21ClN4O2 — CID 133108026

IUPAC[2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2ccccn2)NN1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21ClN4O2/c20-14-6-4-13(5-7-14)18-12-24(9-10-26-18)19(25)17-11-16(22-23-17)15-3-1-2-8-21-15/h1-8,16-18,22-23H,9-12H2
InChIKeyUMOOOMBPRBIHQD-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.24
Rot. Bonds3

About [2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone

[2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone (PubChem CID 133108026) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is [2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone
PubChem CID133108026
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name[2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2ccccn2)NN1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21ClN4O2/c20-14-6-4-13(5-7-14)18-12-24(9-10-26-18)19(25)17-11-16(22-23-17)15-3-1-2-8-21-15/h1-8,16-18,22-23H,9-12H2
InChIKeyUMOOOMBPRBIHQD-UHFFFAOYSA-N
XLogP2.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone
CID 78153988
[2-(4-chlorophenyl)morpholin-4-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 74242341
[2-(2-chlorophenyl)cyclopropyl]-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 55948147
N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551300
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
CID 63005450
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-phenylethanone
CID 119290568
[2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone
CID 112732538
[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
CID 47341691
(3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56877212
(3-amino-1H-pyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95556703

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone (CID 133108026) is [2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone is O=C(C1CC(c2ccccn2)NN1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of [2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone?
The InChIKey is UMOOOMBPRBIHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-14-6-4-13(5-7-14)18-12-24(9-10-26-18)19(25)17-11-16(22-23-17)15-3-1-2-8-21-15/h1-8,16-18,22-23H,9-12H2.
What are the key properties of [2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone?
[2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone has a molecular weight of 372.86 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 133108026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).