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

C14H16FN3O — CID 90248253

IUPAC4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine
SMILESCn1nc(-c2ccc(F)cc2)cc1N1CCOCC1
InChIInChI=1S/C14H16FN3O/c1-17-14(18-6-8-19-9-7-18)10-13(16-17)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyZUUGKHLSXGLLQT-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.06
Rot. Bonds2

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

4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine (PubChem CID 90248253) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine
PubChem CID90248253
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine
SMILESCn1nc(-c2ccc(F)cc2)cc1N1CCOCC1
InChIInChI=1S/C14H16FN3O/c1-17-14(18-6-8-19-9-7-18)10-13(16-17)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyZUUGKHLSXGLLQT-UHFFFAOYSA-N
XLogP2.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine (CID 90248253) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine is Cn1nc(-c2ccc(F)cc2)cc1N1CCOCC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine?
The InChIKey is ZUUGKHLSXGLLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-17-14(18-6-8-19-9-7-18)10-13(16-17)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine?
4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine has a molecular weight of 261.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]morpholine is sourced from PubChem (CID 90248253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).