ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate

C19H19N3O3 — CID 54450596

IUPACethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-n2[nH]c(-c3cccnc3)c(C)c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-17(23)11-14-6-8-16(9-7-14)22-19(24)13(2)18(21-22)15-5-4-10-20-12-15/h4-10,12,21H,3,11H2,1-2H3
InChIKeyWURRXSJBFRMJIE-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.64
Rot. Bonds5

About ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate

ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate (PubChem CID 54450596) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate
PubChem CID54450596
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Nameethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-n2[nH]c(-c3cccnc3)c(C)c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-17(23)11-14-6-8-16(9-7-14)22-19(24)13(2)18(21-22)15-5-4-10-20-12-15/h4-10,12,21H,3,11H2,1-2H3
InChIKeyWURRXSJBFRMJIE-UHFFFAOYSA-N
XLogP2.64
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate (CID 54450596) is ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate is CCOC(=O)Cc1ccc(-n2[nH]c(-c3cccnc3)c(C)c2=O)cc1.
What is the InChIKey of ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate?
The InChIKey is WURRXSJBFRMJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-25-17(23)11-14-6-8-16(9-7-14)22-19(24)13(2)18(21-22)15-5-4-10-20-12-15/h4-10,12,21H,3,11H2,1-2H3.
What are the key properties of ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate?
ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate has a molecular weight of 337.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate is sourced from PubChem (CID 54450596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).