[2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone

C13H20ClN3O2 — CID 81210449

IUPAC[2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCOC(CCl)C2)n(CC)n1
InChIInChI=1S/C13H20ClN3O2/c1-3-10-7-12(17(4-2)15-10)13(18)16-5-6-19-11(8-14)9-16/h7,11H,3-6,8-9H2,1-2H3
InChIKeyVEXDAUJAJXMACH-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.55
Rot. Bonds4

About [2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone

[2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone (PubChem CID 81210449) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is [2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone
PubChem CID81210449
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name[2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCOC(CCl)C2)n(CC)n1
InChIInChI=1S/C13H20ClN3O2/c1-3-10-7-12(17(4-2)15-10)13(18)16-5-6-19-11(8-14)9-16/h7,11H,3-6,8-9H2,1-2H3
InChIKeyVEXDAUJAJXMACH-UHFFFAOYSA-N
XLogP1.55
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 81212134
[2-(bromomethyl)morpholin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 81210351
[2-(aminomethyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66121292
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428724
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one
CID 66121196
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 114802193
[2-(chloromethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 81210941
(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 66122379
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 95211473

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone?
The IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone (CID 81210449) is [2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone?
The canonical SMILES for [2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone is CCc1cc(C(=O)N2CCOC(CCl)C2)n(CC)n1.
What is the InChIKey of [2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone?
The InChIKey is VEXDAUJAJXMACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-3-10-7-12(17(4-2)15-10)13(18)16-5-6-19-11(8-14)9-16/h7,11H,3-6,8-9H2,1-2H3.
What are the key properties of [2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone?
[2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone has a molecular weight of 285.77 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone is sourced from PubChem (CID 81210449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).