[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C14H22ClN3O2 — CID 114781110

IUPAC[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C14H22ClN3O2/c1-9-12(10(2)17(5)16-9)13(19)18-7-11(6-15)20-14(3,4)8-18/h11H,6-8H2,1-5H3
InChIKeyHGACZRNTUAERTD-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.90
Rot. Bonds2

About [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 114781110) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID114781110
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C14H22ClN3O2/c1-9-12(10(2)17(5)16-9)13(19)18-7-11(6-15)20-14(3,4)8-18/h11H,6-8H2,1-5H3
InChIKeyHGACZRNTUAERTD-UHFFFAOYSA-N
XLogP1.90
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6S)-2,2,6-trimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 94202787
(2,5-dimethylpyrazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778904
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
(2-bromo-6-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781263
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(4-chloro-3-methylphenyl)methanone
CID 114781262
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-chloro-4-methylphenyl)methanone
CID 114781128
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 114781295
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 114779021
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 114781299
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3-dihydroxyphenyl)methanone
CID 114781203
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 114778454

Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 114781110) is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CC(CCl)OC(C)(C)C1.
What is the InChIKey of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is HGACZRNTUAERTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-9-12(10(2)17(5)16-9)13(19)18-7-11(6-15)20-14(3,4)8-18/h11H,6-8H2,1-5H3.
What are the key properties of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 299.80 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 114781110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).