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

C27H26FN3O — CID 91119328

IUPAC4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine
SMILESCCN1CCOC(c2cnn(-c3ccc(-c4ccccc4)cc3)c2-c2ccccc2F)C1
InChIInChI=1S/C27H26FN3O/c1-2-30-16-17-32-26(19-30)24-18-29-31(27(24)23-10-6-7-11-25(23)28)22-14-12-21(13-15-22)20-8-4-3-5-9-20/h3-15,18,26H,2,16-17,19H2,1H3
InChIKeyKXJNZGXZXPXWJD-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.74
Rot. Bonds5

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

4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine (PubChem CID 91119328) has the molecular formula C27H26FN3O and a molecular weight of 427.52 g/mol. Its IUPAC name is 4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine.

Molecular Properties

Compound Name4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine
PubChem CID91119328
Molecular FormulaC27H26FN3O
Molecular Weight427.52 g/mol
Exact Mass427.21
IUPAC Name4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine
SMILESCCN1CCOC(c2cnn(-c3ccc(-c4ccccc4)cc3)c2-c2ccccc2F)C1
InChIInChI=1S/C27H26FN3O/c1-2-30-16-17-32-26(19-30)24-18-29-31(27(24)23-10-6-7-11-25(23)28)22-14-12-21(13-15-22)20-8-4-3-5-9-20/h3-15,18,26H,2,16-17,19H2,1H3
InChIKeyKXJNZGXZXPXWJD-UHFFFAOYSA-N
XLogP5.74
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine?
The IUPAC name of 4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine (CID 91119328) is 4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine.
What is the SMILES notation for 4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine?
The canonical SMILES for 4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine is CCN1CCOC(c2cnn(-c3ccc(-c4ccccc4)cc3)c2-c2ccccc2F)C1.
What is the InChIKey of 4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine?
The InChIKey is KXJNZGXZXPXWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O/c1-2-30-16-17-32-26(19-30)24-18-29-31(27(24)23-10-6-7-11-25(23)28)22-14-12-21(13-15-22)20-8-4-3-5-9-20/h3-15,18,26H,2,16-17,19H2,1H3.
What are the key properties of 4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine?
4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine has a molecular weight of 427.52 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine is sourced from PubChem (CID 91119328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).