[5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone

C18H19N3O2 — CID 23962510

IUPAC[5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
SMILESCCc1ccc(C2(O)CC(C)=NN2C(=O)c2ccncc2)cc1
InChIInChI=1S/C18H19N3O2/c1-3-14-4-6-16(7-5-14)18(23)12-13(2)20-21(18)17(22)15-8-10-19-11-9-15/h4-11,23H,3,12H2,1-2H3
InChIKeyZLWMWLUOFZEZJG-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.71
Rot. Bonds3

About [5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone

[5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone (PubChem CID 23962510) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
PubChem CID23962510
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
SMILESCCc1ccc(C2(O)CC(C)=NN2C(=O)c2ccncc2)cc1
InChIInChI=1S/C18H19N3O2/c1-3-14-4-6-16(7-5-14)18(23)12-13(2)20-21(18)17(22)15-8-10-19-11-9-15/h4-11,23H,3,12H2,1-2H3
InChIKeyZLWMWLUOFZEZJG-UHFFFAOYSA-N
XLogP2.71
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone (CID 23962510) is [5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone is CCc1ccc(C2(O)CC(C)=NN2C(=O)c2ccncc2)cc1.
What is the InChIKey of [5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The InChIKey is ZLWMWLUOFZEZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-14-4-6-16(7-5-14)18(23)12-13(2)20-21(18)17(22)15-8-10-19-11-9-15/h4-11,23H,3,12H2,1-2H3.
What are the key properties of [5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
[5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone has a molecular weight of 309.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 23962510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).