1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone

C17H16N2O2 — CID 102387868

IUPAC1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1(O)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(20)19-17(21,15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,21H,12H2,1H3
InChIKeyNUDFGNSKOXNQOQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.49
Rot. Bonds2

About 1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone

1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone (PubChem CID 102387868) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone
PubChem CID102387868
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1(O)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(20)19-17(21,15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,21H,12H2,1H3
InChIKeyNUDFGNSKOXNQOQ-UHFFFAOYSA-N
XLogP2.49
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone (CID 102387868) is 1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone is CC(=O)N1N=C(c2ccccc2)CC1(O)c1ccccc1.
What is the InChIKey of 1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone?
The InChIKey is NUDFGNSKOXNQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13(20)19-17(21,15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,21H,12H2,1H3.
What are the key properties of 1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone?
1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone has a molecular weight of 280.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone is sourced from PubChem (CID 102387868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).