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

C18H19N3O3 — CID 3136719

IUPAC1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenoxyethanone
SMILESCCC1=NN(C(=O)COc2ccccc2)C(O)(c2ccncc2)C1
InChIInChI=1S/C18H19N3O3/c1-2-15-12-18(23,14-8-10-19-11-9-14)21(20-15)17(22)13-24-16-6-4-3-5-7-16/h3-11,23H,2,12-13H2,1H3
InChIKeyCEOGVSWSBUSBPB-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.30
Rot. Bonds5

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

1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenoxyethanone (PubChem CID 3136719) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenoxyethanone
PubChem CID3136719
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenoxyethanone
SMILESCCC1=NN(C(=O)COc2ccccc2)C(O)(c2ccncc2)C1
InChIInChI=1S/C18H19N3O3/c1-2-15-12-18(23,14-8-10-19-11-9-14)21(20-15)17(22)13-24-16-6-4-3-5-7-16/h3-11,23H,2,12-13H2,1H3
InChIKeyCEOGVSWSBUSBPB-UHFFFAOYSA-N
XLogP2.30
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-phenoxyethanone?
The IUPAC name of 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenoxyethanone (CID 3136719) is 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenoxyethanone is CCC1=NN(C(=O)COc2ccccc2)C(O)(c2ccncc2)C1.
What is the InChIKey of 1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenoxyethanone?
The InChIKey is CEOGVSWSBUSBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-15-12-18(23,14-8-10-19-11-9-14)21(20-15)17(22)13-24-16-6-4-3-5-7-16/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-phenoxyethanone?
1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenoxyethanone has a molecular weight of 325.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-phenoxyethanone is sourced from PubChem (CID 3136719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).