1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone

C18H19N3O2 — CID 3136717

IUPAC1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone
SMILESCCC1=NN(C(=O)Cc2ccccc2)C(O)(c2ccncc2)C1
InChIInChI=1S/C18H19N3O2/c1-2-16-13-18(23,15-8-10-19-11-9-15)21(20-16)17(22)12-14-6-4-3-5-7-14/h3-11,23H,2,12-13H2,1H3
InChIKeyUUBFITKUDCIYOB-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.47
Rot. Bonds4

About 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone

1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone (PubChem CID 3136717) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone
PubChem CID3136717
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone
SMILESCCC1=NN(C(=O)Cc2ccccc2)C(O)(c2ccncc2)C1
InChIInChI=1S/C18H19N3O2/c1-2-16-13-18(23,15-8-10-19-11-9-15)21(20-16)17(22)12-14-6-4-3-5-7-14/h3-11,23H,2,12-13H2,1H3
InChIKeyUUBFITKUDCIYOB-UHFFFAOYSA-N
XLogP2.47
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone?
The IUPAC name of 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone (CID 3136717) is 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone is CCC1=NN(C(=O)Cc2ccccc2)C(O)(c2ccncc2)C1.
What is the InChIKey of 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone?
The InChIKey is UUBFITKUDCIYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-16-13-18(23,15-8-10-19-11-9-15)21(20-16)17(22)12-14-6-4-3-5-7-14/h3-11,23H,2,12-13H2,1H3.
What are the key properties of 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone?
1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone has a molecular weight of 309.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone is sourced from PubChem (CID 3136717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).