ethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

C14H16N4O2 — CID 608159

IUPACethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc2c(C#N)c(C)nn2c1C
InChIInChI=1S/C14H16N4O2/c1-5-20-13(19)6-11-8(2)16-14-12(7-15)9(3)17-18(14)10(11)4/h5-6H2,1-4H3
InChIKeyTZBWTJUFPJXYFH-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.63
Rot. Bonds3

About ethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

ethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 608159) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is ethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID608159
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Nameethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc2c(C#N)c(C)nn2c1C
InChIInChI=1S/C14H16N4O2/c1-5-20-13(19)6-11-8(2)16-14-12(7-15)9(3)17-18(14)10(11)4/h5-6H2,1-4H3
InChIKeyTZBWTJUFPJXYFH-UHFFFAOYSA-N
XLogP1.63
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of ethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 608159) is ethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for ethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is CCOC(=O)Cc1c(C)nc2c(C#N)c(C)nn2c1C.
What is the InChIKey of ethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is TZBWTJUFPJXYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-5-20-13(19)6-11-8(2)16-14-12(7-15)9(3)17-18(14)10(11)4/h5-6H2,1-4H3.
What are the key properties of ethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
ethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 272.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyano-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 608159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).