4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine

C19H18FN3O — CID 58212409

IUPAC4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine
SMILESFc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)n[nH]2)cc1
InChIInChI=1S/C19H18FN3O/c20-16-5-1-14(2-6-16)18-13-19(22-21-18)15-3-7-17(8-4-15)23-9-11-24-12-10-23/h1-8,13H,9-12H2,(H,21,22)
InChIKeyCODDZANJEXJEGE-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.72
Rot. Bonds3

About 4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine

4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine (PubChem CID 58212409) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine
PubChem CID58212409
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine
SMILESFc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)n[nH]2)cc1
InChIInChI=1S/C19H18FN3O/c20-16-5-1-14(2-6-16)18-13-19(22-21-18)15-3-7-17(8-4-15)23-9-11-24-12-10-23/h1-8,13H,9-12H2,(H,21,22)
InChIKeyCODDZANJEXJEGE-UHFFFAOYSA-N
XLogP3.72
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine (CID 58212409) is 4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine is Fc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)n[nH]2)cc1.
What is the InChIKey of 4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine?
The InChIKey is CODDZANJEXJEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-5-1-14(2-6-16)18-13-19(22-21-18)15-3-7-17(8-4-15)23-9-11-24-12-10-23/h1-8,13H,9-12H2,(H,21,22).
What are the key properties of 4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine?
4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine has a molecular weight of 323.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine is sourced from PubChem (CID 58212409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).