1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone

C18H19N3O2 — CID 3123702

IUPAC1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone
SMILESCC1=NN(C(=O)Cc2ccc(C)cc2)C(O)(c2cccnc2)C1
InChIInChI=1S/C18H19N3O2/c1-13-5-7-15(8-6-13)10-17(22)21-18(23,11-14(2)20-21)16-4-3-9-19-12-16/h3-9,12,23H,10-11H2,1-2H3
InChIKeyVXINZSUGKXKAJC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.39
Rot. Bonds3

About 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone

1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone (PubChem CID 3123702) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone
PubChem CID3123702
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone
SMILESCC1=NN(C(=O)Cc2ccc(C)cc2)C(O)(c2cccnc2)C1
InChIInChI=1S/C18H19N3O2/c1-13-5-7-15(8-6-13)10-17(22)21-18(23,11-14(2)20-21)16-4-3-9-19-12-16/h3-9,12,23H,10-11H2,1-2H3
InChIKeyVXINZSUGKXKAJC-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone (CID 3123702) is 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone is CC1=NN(C(=O)Cc2ccc(C)cc2)C(O)(c2cccnc2)C1.
What is the InChIKey of 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is VXINZSUGKXKAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-5-7-15(8-6-13)10-17(22)21-18(23,11-14(2)20-21)16-4-3-9-19-12-16/h3-9,12,23H,10-11H2,1-2H3.
What are the key properties of 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone?
1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 309.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 3123702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).