4-(4-bromo-1-methylpyrazol-3-yl)morpholine

C8H12BrN3O — CID 90289297

IUPAC4-(4-bromo-1-methylpyrazol-3-yl)morpholine
SMILESCn1cc(Br)c(N2CCOCC2)n1
InChIInChI=1S/C8H12BrN3O/c1-11-6-7(9)8(10-11)12-2-4-13-5-3-12/h6H,2-5H2,1H3
InChIKeyCGKCILSTHQCMQC-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.02
Rot. Bonds1

About 4-(4-bromo-1-methylpyrazol-3-yl)morpholine

4-(4-bromo-1-methylpyrazol-3-yl)morpholine (PubChem CID 90289297) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 4-(4-bromo-1-methylpyrazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(4-bromo-1-methylpyrazol-3-yl)morpholine
PubChem CID90289297
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name4-(4-bromo-1-methylpyrazol-3-yl)morpholine
SMILESCn1cc(Br)c(N2CCOCC2)n1
InChIInChI=1S/C8H12BrN3O/c1-11-6-7(9)8(10-11)12-2-4-13-5-3-12/h6H,2-5H2,1H3
InChIKeyCGKCILSTHQCMQC-UHFFFAOYSA-N
XLogP1.02
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-methylpyrazol-3-yl)morpholine?
The IUPAC name of 4-(4-bromo-1-methylpyrazol-3-yl)morpholine (CID 90289297) is 4-(4-bromo-1-methylpyrazol-3-yl)morpholine.
What is the SMILES notation for 4-(4-bromo-1-methylpyrazol-3-yl)morpholine?
The canonical SMILES for 4-(4-bromo-1-methylpyrazol-3-yl)morpholine is Cn1cc(Br)c(N2CCOCC2)n1.
What is the InChIKey of 4-(4-bromo-1-methylpyrazol-3-yl)morpholine?
The InChIKey is CGKCILSTHQCMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-11-6-7(9)8(10-11)12-2-4-13-5-3-12/h6H,2-5H2,1H3.
What are the key properties of 4-(4-bromo-1-methylpyrazol-3-yl)morpholine?
4-(4-bromo-1-methylpyrazol-3-yl)morpholine has a molecular weight of 246.11 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-methylpyrazol-3-yl)morpholine is sourced from PubChem (CID 90289297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).