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

C14H22ClN3O2 — CID 81212134

IUPAC[2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CC(CCl)OCC2C)n(CC)n1
InChIInChI=1S/C14H22ClN3O2/c1-4-11-6-13(18(5-2)16-11)14(19)17-8-12(7-15)20-9-10(17)3/h6,10,12H,4-5,7-9H2,1-3H3
InChIKeyRJYNFLCTLKUUSD-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.93
Rot. Bonds4

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

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone (PubChem CID 81212134) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone
PubChem CID81212134
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CC(CCl)OCC2C)n(CC)n1
InChIInChI=1S/C14H22ClN3O2/c1-4-11-6-13(18(5-2)16-11)14(19)17-8-12(7-15)20-9-10(17)3/h6,10,12H,4-5,7-9H2,1-3H3
InChIKeyRJYNFLCTLKUUSD-UHFFFAOYSA-N
XLogP1.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.93
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)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 81210449
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
CID 81212290
(3-bromo-5-fluorophenyl)-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 81211638
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone
CID 81212545
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2-hydroxyphenyl)methanone
CID 81211637
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107672999
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107965992
[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
CID 81211730
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 81212380
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212054
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 81211311

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone?
The IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone (CID 81212134) is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone?
The canonical SMILES for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone is CCc1cc(C(=O)N2CC(CCl)OCC2C)n(CC)n1.
What is the InChIKey of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone?
The InChIKey is RJYNFLCTLKUUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-4-11-6-13(18(5-2)16-11)14(19)17-8-12(7-15)20-9-10(17)3/h6,10,12H,4-5,7-9H2,1-3H3.
What are the key properties of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone?
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone has a molecular weight of 299.80 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone is sourced from PubChem (CID 81212134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).