ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate

C22H19N3O3 — CID 2242396

IUPACethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1
InChIInChI=1S/C22H19N3O3/c1-2-28-19(27)14-17-13-18(26)25-22(23-17)20(15-9-5-3-6-10-15)21(24-25)16-11-7-4-8-12-16/h3-13,24H,2,14H2,1H3
InChIKeyWPCONHJREDAJGX-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.46
Rot. Bonds5

About ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate

ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate (PubChem CID 2242396) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate
PubChem CID2242396
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Nameethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1
InChIInChI=1S/C22H19N3O3/c1-2-28-19(27)14-17-13-18(26)25-22(23-17)20(15-9-5-3-6-10-15)21(24-25)16-11-7-4-8-12-16/h3-13,24H,2,14H2,1H3
InChIKeyWPCONHJREDAJGX-UHFFFAOYSA-N
XLogP3.46
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140798
5-(chloromethyl)-2-(4-chlorophenyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66974884
2-(4-chlorophenyl)-3-phenyl-5-(trifluoromethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 67095677
[7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methyl 2,2,2-trifluoroacetate
CID 90307455
2-chloro-5-(chloromethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66974644
2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140796
2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973795
5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606577
N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide
CID 134307713
ethyl 2-[2-[(4-methylphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
CID 23610612
2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606545
3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164622252

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate (CID 2242396) is ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate is CCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1.
What is the InChIKey of ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate?
The InChIKey is WPCONHJREDAJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-2-28-19(27)14-17-13-18(26)25-22(23-17)20(15-9-5-3-6-10-15)21(24-25)16-11-7-4-8-12-16/h3-13,24H,2,14H2,1H3.
What are the key properties of ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate?
ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate has a molecular weight of 373.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate is sourced from PubChem (CID 2242396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).