ethane;1-pyrazol-1-ylpropan-2-one

C8H14N2O — CID 143096298

IUPACethane;1-pyrazol-1-ylpropan-2-one
SMILESCC.CC(=O)Cn1cccn1
InChIInChI=1S/C6H8N2O.C2H6/c1-6(9)5-8-4-2-3-7-8;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyGXOLOTLWDWHNDB-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.50
Rot. Bonds2

About ethane;1-pyrazol-1-ylpropan-2-one

ethane;1-pyrazol-1-ylpropan-2-one (PubChem CID 143096298) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is ethane;1-pyrazol-1-ylpropan-2-one.

Molecular Properties

Compound Nameethane;1-pyrazol-1-ylpropan-2-one
PubChem CID143096298
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Nameethane;1-pyrazol-1-ylpropan-2-one
SMILESCC.CC(=O)Cn1cccn1
InChIInChI=1S/C6H8N2O.C2H6/c1-6(9)5-8-4-2-3-7-8;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyGXOLOTLWDWHNDB-UHFFFAOYSA-N
XLogP1.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-pyrazol-1-ylbut-2-enoic acid
CID 77005716
3-methyl-1-pyrazol-1-ylbutan-2-one
CID 59531413
amino 2-pyrazol-1-ylacetate
CID 175809673
N-ethoxy-2-pyrazol-1-ylacetamide
CID 60700858
ethyl 4-oxo-5-pyrazol-1-ylpentanoate
CID 103484644
pyrazol-1-ylmethylcarbamic acid;hydrochloride
CID 70297363
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79806989
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745
1-ethylpyrazole;propane
CID 142296683
(E)-4-pyrazol-1-ylbut-2-enoic acid
CID 60703809
2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
CID 81367964

Frequently Asked Questions

What is the IUPAC name of ethane;1-pyrazol-1-ylpropan-2-one?
The IUPAC name of ethane;1-pyrazol-1-ylpropan-2-one (CID 143096298) is ethane;1-pyrazol-1-ylpropan-2-one.
What is the SMILES notation for ethane;1-pyrazol-1-ylpropan-2-one?
The canonical SMILES for ethane;1-pyrazol-1-ylpropan-2-one is CC.CC(=O)Cn1cccn1.
What is the InChIKey of ethane;1-pyrazol-1-ylpropan-2-one?
The InChIKey is GXOLOTLWDWHNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C2H6/c1-6(9)5-8-4-2-3-7-8;1-2/h2-4H,5H2,1H3;1-2H3.
What are the key properties of ethane;1-pyrazol-1-ylpropan-2-one?
ethane;1-pyrazol-1-ylpropan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-pyrazol-1-ylpropan-2-one is sourced from PubChem (CID 143096298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).