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

C19H18FN3O — CID 70981081

IUPAC4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine
SMILESFc1ccc(-c2ccnn2-c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H18FN3O/c20-16-3-1-15(2-4-16)19-9-10-21-23(19)18-7-5-17(6-8-18)22-11-13-24-14-12-22/h1-10H,11-14H2
InChIKeyAEPIOOJGWJZUSN-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.52
Rot. Bonds3

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

4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine (PubChem CID 70981081) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine
PubChem CID70981081
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine
SMILESFc1ccc(-c2ccnn2-c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H18FN3O/c20-16-3-1-15(2-4-16)19-9-10-21-23(19)18-7-5-17(6-8-18)22-11-13-24-14-12-22/h1-10H,11-14H2
InChIKeyAEPIOOJGWJZUSN-UHFFFAOYSA-N
XLogP3.52
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine (CID 70981081) is 4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine is Fc1ccc(-c2ccnn2-c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine?
The InChIKey is AEPIOOJGWJZUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-3-1-15(2-4-16)19-9-10-21-23(19)18-7-5-17(6-8-18)22-11-13-24-14-12-22/h1-10H,11-14H2.
What are the key properties of 4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine?
4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine has a molecular weight of 323.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine is sourced from PubChem (CID 70981081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).