ethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone

C8H16N2O — CID 145351712

IUPACethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone
SMILESCC.CC(=O)C1C=CN(C)N1
InChIInChI=1S/C6H10N2O.C2H6/c1-5(9)6-3-4-8(2)7-6;1-2/h3-4,6-7H,1-2H3;1-2H3
InChIKeyFKOGQZWPARVABD-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.93
Rot. Bonds1

About ethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone

ethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone (PubChem CID 145351712) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is ethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone
PubChem CID145351712
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nameethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone
SMILESCC.CC(=O)C1C=CN(C)N1
InChIInChI=1S/C6H10N2O.C2H6/c1-5(9)6-3-4-8(2)7-6;1-2/h3-4,6-7H,1-2H3;1-2H3
InChIKeyFKOGQZWPARVABD-UHFFFAOYSA-N
XLogP0.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone?
The IUPAC name of ethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone (CID 145351712) is ethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone.
What is the SMILES notation for ethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone?
The canonical SMILES for ethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone is CC.CC(=O)C1C=CN(C)N1.
What is the InChIKey of ethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone?
The InChIKey is FKOGQZWPARVABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C2H6/c1-5(9)6-3-4-8(2)7-6;1-2/h3-4,6-7H,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone?
ethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone has a molecular weight of 156.23 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone is sourced from PubChem (CID 145351712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).