1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone

C12H15N3O2S — CID 2858430

IUPAC1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone
SMILESCC1=NN(C(=O)CSc2ccccn2)C(C)(O)C1
InChIInChI=1S/C12H15N3O2S/c1-9-7-12(2,17)15(14-9)11(16)8-18-10-5-3-4-6-13-10/h3-6,17H,7-8H2,1-2H3
InChIKeyNKQJXKSRXAVYAH-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.49
Rot. Bonds3

About 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone

1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone (PubChem CID 2858430) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone
PubChem CID2858430
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone
SMILESCC1=NN(C(=O)CSc2ccccn2)C(C)(O)C1
InChIInChI=1S/C12H15N3O2S/c1-9-7-12(2,17)15(14-9)11(16)8-18-10-5-3-4-6-13-10/h3-6,17H,7-8H2,1-2H3
InChIKeyNKQJXKSRXAVYAH-UHFFFAOYSA-N
XLogP1.49
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone (CID 2858430) is 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone is CC1=NN(C(=O)CSc2ccccn2)C(C)(O)C1.
What is the InChIKey of 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone?
The InChIKey is NKQJXKSRXAVYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-9-7-12(2,17)15(14-9)11(16)8-18-10-5-3-4-6-13-10/h3-6,17H,7-8H2,1-2H3.
What are the key properties of 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone?
1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone has a molecular weight of 265.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 2858430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).