ethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

C18H19N3O2 — CID 754739

IUPACethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc2cc(-c3ccccc3)nn2c1C
InChIInChI=1S/C18H19N3O2/c1-4-23-18(22)10-15-12(2)19-17-11-16(20-21(17)13(15)3)14-8-6-5-7-9-14/h5-9,11H,4,10H2,1-3H3
InChIKeyIWGORGYWQUPMNF-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.12
Rot. Bonds4

About ethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

ethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 754739) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID754739
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Nameethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc2cc(-c3ccccc3)nn2c1C
InChIInChI=1S/C18H19N3O2/c1-4-23-18(22)10-15-12(2)19-17-11-16(20-21(17)13(15)3)14-8-6-5-7-9-14/h5-9,11H,4,10H2,1-3H3
InChIKeyIWGORGYWQUPMNF-UHFFFAOYSA-N
XLogP3.12
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of ethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 754739) is ethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for ethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is CCOC(=O)Cc1c(C)nc2cc(-c3ccccc3)nn2c1C.
What is the InChIKey of ethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is IWGORGYWQUPMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-23-18(22)10-15-12(2)19-17-11-16(20-21(17)13(15)3)14-8-6-5-7-9-14/h5-9,11H,4,10H2,1-3H3.
What are the key properties of ethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
ethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 309.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 754739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).