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

C6H10N2O — CID 89174396

IUPAC1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone
SMILESCC(=O)C1C=CN(C)N1
InChIInChI=1S/C6H10N2O/c1-5(9)6-3-4-8(2)7-6/h3-4,6-7H,1-2H3
InChIKeyNLNQLWVOKSVWQF-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.09
Rot. Bonds1

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

1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone (PubChem CID 89174396) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone
PubChem CID89174396
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone
SMILESCC(=O)C1C=CN(C)N1
InChIInChI=1S/C6H10N2O/c1-5(9)6-3-4-8(2)7-6/h3-4,6-7H,1-2H3
InChIKeyNLNQLWVOKSVWQF-UHFFFAOYSA-N
XLogP-0.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone?
The IUPAC name of 1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone (CID 89174396) is 1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone is CC(=O)C1C=CN(C)N1.
What is the InChIKey of 1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone?
The InChIKey is NLNQLWVOKSVWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(9)6-3-4-8(2)7-6/h3-4,6-7H,1-2H3.
What are the key properties of 1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone?
1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone has a molecular weight of 126.16 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,5-dihydropyrazol-5-yl)ethanone is sourced from PubChem (CID 89174396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).