5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one

C11H13N3O — CID 131883873

IUPAC5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one
SMILESCC1=NN(CCc2ccccn2)C(=O)C1
InChIInChI=1S/C11H13N3O/c1-9-8-11(15)14(13-9)7-5-10-4-2-3-6-12-10/h2-4,6H,5,7-8H2,1H3
InChIKeyKQGBYKFYANEVAZ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.23
Rot. Bonds3

About 5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one

5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one (PubChem CID 131883873) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one
PubChem CID131883873
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one
SMILESCC1=NN(CCc2ccccn2)C(=O)C1
InChIInChI=1S/C11H13N3O/c1-9-8-11(15)14(13-9)7-5-10-4-2-3-6-12-10/h2-4,6H,5,7-8H2,1H3
InChIKeyKQGBYKFYANEVAZ-UHFFFAOYSA-N
XLogP1.23
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962332
3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
CID 5113911
4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61357169
1,7,9-trimethyl-3,5,12-tris(2-pyridin-2-ylethyl)-3,5,12-triazatetracyclo[5.3.1.12,6.04,9]dodecane
CID 10530041
3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 134109848
1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 17408313
4-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 103576660
5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid
CID 23362702
3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid
CID 102604824

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one (CID 131883873) is 5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one is CC1=NN(CCc2ccccn2)C(=O)C1.
What is the InChIKey of 5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one?
The InChIKey is KQGBYKFYANEVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9-8-11(15)14(13-9)7-5-10-4-2-3-6-12-10/h2-4,6H,5,7-8H2,1H3.
What are the key properties of 5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one?
5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one has a molecular weight of 203.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 131883873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).