3-(5-bromo-1-methylpyrazol-4-yl)morpholine

C8H12BrN3O — CID 84803089

IUPAC3-(5-bromo-1-methylpyrazol-4-yl)morpholine
SMILESCn1ncc(C2COCCN2)c1Br
InChIInChI=1S/C8H12BrN3O/c1-12-8(9)6(4-11-12)7-5-13-3-2-10-7/h4,7,10H,2-3,5H2,1H3
InChIKeyJJMWMLDDTJDYRA-UHFFFAOYSA-N
MW246.11 g/mol
LogP0.84
Rot. Bonds1

About 3-(5-bromo-1-methylpyrazol-4-yl)morpholine

3-(5-bromo-1-methylpyrazol-4-yl)morpholine (PubChem CID 84803089) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 3-(5-bromo-1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name3-(5-bromo-1-methylpyrazol-4-yl)morpholine
PubChem CID84803089
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name3-(5-bromo-1-methylpyrazol-4-yl)morpholine
SMILESCn1ncc(C2COCCN2)c1Br
InChIInChI=1S/C8H12BrN3O/c1-12-8(9)6(4-11-12)7-5-13-3-2-10-7/h4,7,10H,2-3,5H2,1H3
InChIKeyJJMWMLDDTJDYRA-UHFFFAOYSA-N
XLogP0.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylindazol-4-yl)morpholine
CID 89484906
3-(2-bromophenyl)morpholine;hydrochloride
CID 155487565
(3R)-3-(5-bromo-2-methylphenyl)morpholine
CID 130632472
(3S)-3-(2-bromo-4-methylphenyl)morpholine;hydrochloride
CID 171193090
3-(5-chloro-1H-pyrazol-4-yl)morpholine
CID 84770590
4-(5-bromo-1-methylpyrazol-4-yl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
CID 165470401
(3R)-3-(6-fluoro-4-methyl-3-pyridinyl)morpholine
CID 55273525
4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563
3-(5-bromo-1,3-thiazol-2-yl)morpholine
CID 83693202
(3S)-3-(5,6-dibromo-3-pyridinyl)morpholine
CID 131118655
3-(3,5-dibromophenyl)morpholine
CID 126971173
(3S)-3-(4-bromo-2-fluorophenyl)morpholine
CID 130618619

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 3-(5-bromo-1-methylpyrazol-4-yl)morpholine (CID 84803089) is 3-(5-bromo-1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 3-(5-bromo-1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 3-(5-bromo-1-methylpyrazol-4-yl)morpholine is Cn1ncc(C2COCCN2)c1Br.
What is the InChIKey of 3-(5-bromo-1-methylpyrazol-4-yl)morpholine?
The InChIKey is JJMWMLDDTJDYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-12-8(9)6(4-11-12)7-5-13-3-2-10-7/h4,7,10H,2-3,5H2,1H3.
What are the key properties of 3-(5-bromo-1-methylpyrazol-4-yl)morpholine?
3-(5-bromo-1-methylpyrazol-4-yl)morpholine has a molecular weight of 246.11 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 84803089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).