1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone

C11H12N2O — CID 15759249

IUPAC1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone
SMILESCC(=O)C1=NNCC1c1ccccc1
InChIInChI=1S/C11H12N2O/c1-8(14)11-10(7-12-13-11)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3
InChIKeyOYVNPEUVKSFCCO-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.32
Rot. Bonds2

About 1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone

1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone (PubChem CID 15759249) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone
PubChem CID15759249
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone
SMILESCC(=O)C1=NNCC1c1ccccc1
InChIInChI=1S/C11H12N2O/c1-8(14)11-10(7-12-13-11)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3
InChIKeyOYVNPEUVKSFCCO-UHFFFAOYSA-N
XLogP1.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone?
The IUPAC name of 1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone (CID 15759249) is 1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone?
The canonical SMILES for 1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone is CC(=O)C1=NNCC1c1ccccc1.
What is the InChIKey of 1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone?
The InChIKey is OYVNPEUVKSFCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8(14)11-10(7-12-13-11)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3.
What are the key properties of 1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone?
1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone has a molecular weight of 188.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethanone is sourced from PubChem (CID 15759249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).