4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one

C18H19N3O — CID 4715341

IUPAC4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one
SMILESCNCCc1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C18H19N3O/c1-19-13-12-16-17(14-8-4-2-5-9-14)20-21(18(16)22)15-10-6-3-7-11-15/h2-11,19-20H,12-13H2,1H3
InChIKeyVTQBWWZVRJELQL-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.59
Rot. Bonds5

About 4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one

4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one (PubChem CID 4715341) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one
PubChem CID4715341
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one
SMILESCNCCc1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C18H19N3O/c1-19-13-12-16-17(14-8-4-2-5-9-14)20-21(18(16)22)15-10-6-3-7-11-15/h2-11,19-20H,12-13H2,1H3
InChIKeyVTQBWWZVRJELQL-UHFFFAOYSA-N
XLogP2.59
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one?
The IUPAC name of 4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one (CID 4715341) is 4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one is CNCCc1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one?
The InChIKey is VTQBWWZVRJELQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-19-13-12-16-17(14-8-4-2-5-9-14)20-21(18(16)22)15-10-6-3-7-11-15/h2-11,19-20H,12-13H2,1H3.
What are the key properties of 4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one?
4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one has a molecular weight of 293.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]-2,5-diphenyl-1H-pyrazol-3-one is sourced from PubChem (CID 4715341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).