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

C13H17N3O2 — CID 686785

IUPACethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc2cc(C)nn2c1C
InChIInChI=1S/C13H17N3O2/c1-5-18-13(17)7-11-9(3)14-12-6-8(2)15-16(12)10(11)4/h6H,5,7H2,1-4H3
InChIKeyLLHOHABMEXPCEU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.76
Rot. Bonds3

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

ethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 686785) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is ethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID686785
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nameethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc2cc(C)nn2c1C
InChIInChI=1S/C13H17N3O2/c1-5-18-13(17)7-11-9(3)14-12-6-8(2)15-16(12)10(11)4/h6H,5,7H2,1-4H3
InChIKeyLLHOHABMEXPCEU-UHFFFAOYSA-N
XLogP1.76
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of ethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 686785) is ethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for ethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is CCOC(=O)Cc1c(C)nc2cc(C)nn2c1C.
What is the InChIKey of ethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is LLHOHABMEXPCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-5-18-13(17)7-11-9(3)14-12-6-8(2)15-16(12)10(11)4/h6H,5,7H2,1-4H3.
What are the key properties of ethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
ethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 247.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 686785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).