4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine

C14H15BrFN3O — CID 90241339

IUPAC4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine
SMILESCn1nc(-c2ccc(F)cc2)c(Br)c1N1CCOCC1
InChIInChI=1S/C14H15BrFN3O/c1-18-14(19-6-8-20-9-7-19)12(15)13(17-18)10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3
InChIKeyQORGXJALNLRGNL-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.83
Rot. Bonds2

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

4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine (PubChem CID 90241339) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine
PubChem CID90241339
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine
SMILESCn1nc(-c2ccc(F)cc2)c(Br)c1N1CCOCC1
InChIInChI=1S/C14H15BrFN3O/c1-18-14(19-6-8-20-9-7-19)12(15)13(17-18)10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3
InChIKeyQORGXJALNLRGNL-UHFFFAOYSA-N
XLogP2.83
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine?
The IUPAC name of 4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine (CID 90241339) is 4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine.
What is the SMILES notation for 4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine?
The canonical SMILES for 4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine is Cn1nc(-c2ccc(F)cc2)c(Br)c1N1CCOCC1.
What is the InChIKey of 4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine?
The InChIKey is QORGXJALNLRGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-18-14(19-6-8-20-9-7-19)12(15)13(17-18)10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3.
What are the key properties of 4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine?
4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine has a molecular weight of 340.20 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine is sourced from PubChem (CID 90241339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).