4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine

C16H19BrFN3O — CID 59281576

IUPAC4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine
SMILESCc1nn(CCN2CCOCC2)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C16H19BrFN3O/c1-12-15(17)16(13-2-4-14(18)5-3-13)21(19-12)7-6-20-8-10-22-11-9-20/h2-5H,6-11H2,1H3
InChIKeyKCOQBGWZASURAU-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.09
Rot. Bonds4

About 4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine

4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine (PubChem CID 59281576) has the molecular formula C16H19BrFN3O and a molecular weight of 368.25 g/mol. Its IUPAC name is 4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine
PubChem CID59281576
Molecular FormulaC16H19BrFN3O
Molecular Weight368.25 g/mol
Exact Mass367.07
IUPAC Name4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine
SMILESCc1nn(CCN2CCOCC2)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C16H19BrFN3O/c1-12-15(17)16(13-2-4-14(18)5-3-13)21(19-12)7-6-20-8-10-22-11-9-20/h2-5H,6-11H2,1H3
InChIKeyKCOQBGWZASURAU-UHFFFAOYSA-N
XLogP3.09
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine (CID 59281576) is 4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine is Cc1nn(CCN2CCOCC2)c(-c2ccc(F)cc2)c1Br.
What is the InChIKey of 4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine?
The InChIKey is KCOQBGWZASURAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3O/c1-12-15(17)16(13-2-4-14(18)5-3-13)21(19-12)7-6-20-8-10-22-11-9-20/h2-5H,6-11H2,1H3.
What are the key properties of 4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine?
4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine has a molecular weight of 368.25 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 59281576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).