1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone

C22H23N3O2 — CID 72837642

IUPAC1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone
SMILESCC(=O)c1ccc(N2CCOCC2)c(-c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C22H23N3O2/c1-17(26)19-7-8-22(24-9-11-27-12-10-24)21(13-19)20-14-23-25(16-20)15-18-5-3-2-4-6-18/h2-8,13-14,16H,9-12,15H2,1H3
InChIKeyQAGPZUJXXDVGRT-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.64
Rot. Bonds5

About 1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone

1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone (PubChem CID 72837642) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone
PubChem CID72837642
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone
SMILESCC(=O)c1ccc(N2CCOCC2)c(-c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C22H23N3O2/c1-17(26)19-7-8-22(24-9-11-27-12-10-24)21(13-19)20-14-23-25(16-20)15-18-5-3-2-4-6-18/h2-8,13-14,16H,9-12,15H2,1H3
InChIKeyQAGPZUJXXDVGRT-UHFFFAOYSA-N
XLogP3.64
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone?
The IUPAC name of 1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone (CID 72837642) is 1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone.
What is the SMILES notation for 1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone?
The canonical SMILES for 1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone is CC(=O)c1ccc(N2CCOCC2)c(-c2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of 1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone?
The InChIKey is QAGPZUJXXDVGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-17(26)19-7-8-22(24-9-11-27-12-10-24)21(13-19)20-14-23-25(16-20)15-18-5-3-2-4-6-18/h2-8,13-14,16H,9-12,15H2,1H3.
What are the key properties of 1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone?
1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone has a molecular weight of 361.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzylpyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone is sourced from PubChem (CID 72837642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).