4-ethyl-2,5-diphenyl-4H-pyrazol-3-one

C17H16N2O — CID 164623417

IUPAC4-ethyl-2,5-diphenyl-4H-pyrazol-3-one
SMILESCCC1C(=O)N(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C17H16N2O/c1-2-15-16(13-9-5-3-6-10-13)18-19(17(15)20)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKeyKCFBJRAHMRXTOO-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.46
Rot. Bonds3

About 4-ethyl-2,5-diphenyl-4H-pyrazol-3-one

4-ethyl-2,5-diphenyl-4H-pyrazol-3-one (PubChem CID 164623417) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-ethyl-2,5-diphenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-ethyl-2,5-diphenyl-4H-pyrazol-3-one
PubChem CID164623417
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-ethyl-2,5-diphenyl-4H-pyrazol-3-one
SMILESCCC1C(=O)N(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C17H16N2O/c1-2-15-16(13-9-5-3-6-10-13)18-19(17(15)20)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKeyKCFBJRAHMRXTOO-UHFFFAOYSA-N
XLogP3.46
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5-diphenyl-4H-pyrazol-3-one?
The IUPAC name of 4-ethyl-2,5-diphenyl-4H-pyrazol-3-one (CID 164623417) is 4-ethyl-2,5-diphenyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-ethyl-2,5-diphenyl-4H-pyrazol-3-one?
The canonical SMILES for 4-ethyl-2,5-diphenyl-4H-pyrazol-3-one is CCC1C(=O)N(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 4-ethyl-2,5-diphenyl-4H-pyrazol-3-one?
The InChIKey is KCFBJRAHMRXTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-15-16(13-9-5-3-6-10-13)18-19(17(15)20)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3.
What are the key properties of 4-ethyl-2,5-diphenyl-4H-pyrazol-3-one?
4-ethyl-2,5-diphenyl-4H-pyrazol-3-one has a molecular weight of 264.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5-diphenyl-4H-pyrazol-3-one is sourced from PubChem (CID 164623417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).