2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine

C11H18ClN3O — CID 102936721

IUPAC2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCC1CN(Cc2cnn(C)c2)CC(CCl)O1
InChIInChI=1S/C11H18ClN3O/c1-9-5-15(8-11(3-12)16-9)7-10-4-13-14(2)6-10/h4,6,9,11H,3,5,7-8H2,1-2H3
InChIKeyORMORCJVZVTDPY-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.25
Rot. Bonds3

About 2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine

2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine (PubChem CID 102936721) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
PubChem CID102936721
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCC1CN(Cc2cnn(C)c2)CC(CCl)O1
InChIInChI=1S/C11H18ClN3O/c1-9-5-15(8-11(3-12)16-9)7-10-4-13-14(2)6-10/h4,6,9,11H,3,5,7-8H2,1-2H3
InChIKeyORMORCJVZVTDPY-UHFFFAOYSA-N
XLogP1.25
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine 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

2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine
CID 102936755
4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936655
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
3-chloro-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 131002547
2-(chloromethyl)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylmorpholine
CID 102936635
2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine
CID 102936602
1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 124694603
(2R,6S)-2-butyl-4-[(1-methylpyrazol-4-yl)methyl]-6-propan-2-ylmorpholine
CID 155914174
4-[(3-bromo-4-methoxyphenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936661
2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine
CID 103015288
2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine
CID 102936623

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of 2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine (CID 102936721) is 2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine is CC1CN(Cc2cnn(C)c2)CC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The InChIKey is ORMORCJVZVTDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-9-5-15(8-11(3-12)16-9)7-10-4-13-14(2)6-10/h4,6,9,11H,3,5,7-8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine has a molecular weight of 243.74 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 102936721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).