1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone

C5H8N2O — CID 175373452

IUPAC1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone
SMILESCC(=O)C1C=CNN1
InChIInChI=1S/C5H8N2O/c1-4(8)5-2-3-6-7-5/h2-3,5-7H,1H3
InChIKeyNLLCZLYRNZXDFZ-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.43
Rot. Bonds1

About 1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone

1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone (PubChem CID 175373452) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone
PubChem CID175373452
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone
SMILESCC(=O)C1C=CNN1
InChIInChI=1S/C5H8N2O/c1-4(8)5-2-3-6-7-5/h2-3,5-7H,1H3
InChIKeyNLLCZLYRNZXDFZ-UHFFFAOYSA-N
XLogP-0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone (CID 175373452) is 1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone is CC(=O)C1C=CNN1.
What is the InChIKey of 1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone?
The InChIKey is NLLCZLYRNZXDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4(8)5-2-3-6-7-5/h2-3,5-7H,1H3.
What are the key properties of 1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone?
1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone has a molecular weight of 112.13 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-pyrazol-3-yl)ethanone is sourced from PubChem (CID 175373452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).