4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine

C12H20BrN3O2 — CID 145403053

IUPAC4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine
SMILESCOCCn1nc(C)c(Br)c1CN1CCOCC1
InChIInChI=1S/C12H20BrN3O2/c1-10-12(13)11(16(14-10)5-6-17-2)9-15-3-7-18-8-4-15/h3-9H2,1-2H3
InChIKeyLGTRWFMBNCXQJH-UHFFFAOYSA-N
MW318.22 g/mol
LogP1.43
Rot. Bonds5

About 4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine

4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine (PubChem CID 145403053) has the molecular formula C12H20BrN3O2 and a molecular weight of 318.22 g/mol. Its IUPAC name is 4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine
PubChem CID145403053
Molecular FormulaC12H20BrN3O2
Molecular Weight318.22 g/mol
Exact Mass317.07
IUPAC Name4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine
SMILESCOCCn1nc(C)c(Br)c1CN1CCOCC1
InChIInChI=1S/C12H20BrN3O2/c1-10-12(13)11(16(14-10)5-6-17-2)9-15-3-7-18-8-4-15/h3-9H2,1-2H3
InChIKeyLGTRWFMBNCXQJH-UHFFFAOYSA-N
XLogP1.43
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine (CID 145403053) is 4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine is COCCn1nc(C)c(Br)c1CN1CCOCC1.
What is the InChIKey of 4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine?
The InChIKey is LGTRWFMBNCXQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O2/c1-10-12(13)11(16(14-10)5-6-17-2)9-15-3-7-18-8-4-15/h3-9H2,1-2H3.
What are the key properties of 4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine?
4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine has a molecular weight of 318.22 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-bromo-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 145403053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).