[2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone

C21H20FN3O2 — CID 56745763

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Cn2cccn2)c1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H20FN3O2/c22-19-7-5-17(6-8-19)20-15-24(11-12-27-20)21(26)18-4-1-3-16(13-18)14-25-10-2-9-23-25/h1-10,13,20H,11-12,14-15H2
InChIKeyFDJKJRZTSGWRLQ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.28
Rot. Bonds4

About [2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone

[2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 56745763) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
PubChem CID56745763
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Cn2cccn2)c1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H20FN3O2/c22-19-7-5-17(6-8-19)20-15-24(11-12-27-20)21(26)18-4-1-3-16(13-18)14-25-10-2-9-23-25/h1-10,13,20H,11-12,14-15H2
InChIKeyFDJKJRZTSGWRLQ-UHFFFAOYSA-N
XLogP3.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone (CID 56745763) is [2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone is O=C(c1cccc(Cn2cccn2)c1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is FDJKJRZTSGWRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-19-7-5-17(6-8-19)20-15-24(11-12-27-20)21(26)18-4-1-3-16(13-18)14-25-10-2-9-23-25/h1-10,13,20H,11-12,14-15H2.
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 365.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 56745763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).