3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine

C11H18BrN3O — CID 103015366

IUPAC3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
SMILESCn1nccc1CCN1CCOCC1CBr
InChIInChI=1S/C11H18BrN3O/c1-14-10(2-4-13-14)3-5-15-6-7-16-9-11(15)8-12/h2,4,11H,3,5-9H2,1H3
InChIKeyQDQKDHFZHXOIAP-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.06
Rot. Bonds4

About 3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine

3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine (PubChem CID 103015366) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine.

Molecular Properties

Compound Name3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
PubChem CID103015366
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
SMILESCn1nccc1CCN1CCOCC1CBr
InChIInChI=1S/C11H18BrN3O/c1-14-10(2-4-13-14)3-5-15-6-7-16-9-11(15)8-12/h2,4,11H,3,5-9H2,1H3
InChIKeyQDQKDHFZHXOIAP-UHFFFAOYSA-N
XLogP1.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.06
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-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015231
3-[5-(methoxymethyl)furan-2-yl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
CID 136563690
3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
CID 114526736
3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015263
5-(bromomethyl)-1-methylpyrazole
CID 59589503
4-(3-bromopropyl)-3-ethylmorpholine
CID 61288372
[4-[2-(1-methylpyrazol-4-yl)ethyl]morpholin-3-yl]methanol
CID 104877516
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine
CID 114934235
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 103024217
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine?
The IUPAC name of 3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine (CID 103015366) is 3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine.
What is the SMILES notation for 3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine?
The canonical SMILES for 3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine is Cn1nccc1CCN1CCOCC1CBr.
What is the InChIKey of 3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine?
The InChIKey is QDQKDHFZHXOIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-14-10(2-4-13-14)3-5-15-6-7-16-9-11(15)8-12/h2,4,11H,3,5-9H2,1H3.
What are the key properties of 3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine?
3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine has a molecular weight of 288.19 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine is sourced from PubChem (CID 103015366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).