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

C11H18ClN3O — CID 103015288

IUPAC2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine
SMILESCn1cc(CCN2CCOC(CCl)C2)cn1
InChIInChI=1S/C11H18ClN3O/c1-14-8-10(7-13-14)2-3-15-4-5-16-11(6-12)9-15/h7-8,11H,2-6,9H2,1H3
InChIKeyWFDZAYQWMDWOAO-UHFFFAOYSA-N
MW243.74 g/mol
LogP0.90
Rot. Bonds4

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

2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine (PubChem CID 103015288) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine
PubChem CID103015288
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine
SMILESCn1cc(CCN2CCOC(CCl)C2)cn1
InChIInChI=1S/C11H18ClN3O/c1-14-8-10(7-13-14)2-3-15-4-5-16-11(6-12)9-15/h7-8,11H,2-6,9H2,1H3
InChIKeyWFDZAYQWMDWOAO-UHFFFAOYSA-N
XLogP0.90
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 50.90
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)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine
CID 114531807
2-(chloromethyl)-4-(1-methylpyrazol-4-yl)sulfonylmorpholine
CID 81212095
2-(chloromethyl)-4-(2-methoxyethyl)morpholine
CID 71380067
2-(chloromethyl)-4-pentylmorpholine
CID 81213679
2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
CID 81210247
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 102936721
3-[2-(1-methylpyrazol-4-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 103815562
4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 103015270
2-(chloromethyl)-4-heptylmorpholine
CID 81213546
3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
CID 114526695
1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3,4-dicarboxylic acid
CID 103004943

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine?
The IUPAC name of 2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine (CID 103015288) is 2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine is Cn1cc(CCN2CCOC(CCl)C2)cn1.
What is the InChIKey of 2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine?
The InChIKey is WFDZAYQWMDWOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-14-8-10(7-13-14)2-3-15-4-5-16-11(6-12)9-15/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine?
2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine has a molecular weight of 243.74 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine is sourced from PubChem (CID 103015288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).