4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine

C15H18FN3O — CID 1487678

IUPAC4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine
SMILESFc1ccc(-c2[nH]ncc2CCN2CCOCC2)cc1
InChIInChI=1S/C15H18FN3O/c16-14-3-1-12(2-4-14)15-13(11-17-18-15)5-6-19-7-9-20-10-8-19/h1-4,11H,5-10H2,(H,17,18)
InChIKeyAJRYPBJFAMIIPG-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.09
Rot. Bonds4

About 4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine

4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine (PubChem CID 1487678) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine
PubChem CID1487678
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine
SMILESFc1ccc(-c2[nH]ncc2CCN2CCOCC2)cc1
InChIInChI=1S/C15H18FN3O/c16-14-3-1-12(2-4-14)15-13(11-17-18-15)5-6-19-7-9-20-10-8-19/h1-4,11H,5-10H2,(H,17,18)
InChIKeyAJRYPBJFAMIIPG-UHFFFAOYSA-N
XLogP2.09
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine (CID 1487678) is 4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine is Fc1ccc(-c2[nH]ncc2CCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine?
The InChIKey is AJRYPBJFAMIIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-14-3-1-12(2-4-14)15-13(11-17-18-15)5-6-19-7-9-20-10-8-19/h1-4,11H,5-10H2,(H,17,18).
What are the key properties of 4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine?
4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine has a molecular weight of 275.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]morpholine is sourced from PubChem (CID 1487678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).