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

C13H14N4O2 — CID 754744

IUPACethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc2c(C#N)cnn2c1C
InChIInChI=1S/C13H14N4O2/c1-4-19-12(18)5-11-8(2)16-13-10(6-14)7-15-17(13)9(11)3/h7H,4-5H2,1-3H3
InChIKeyUCCYVRQHZXPPKG-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.32
Rot. Bonds3

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

ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 754744) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID754744
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Nameethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc2c(C#N)cnn2c1C
InChIInChI=1S/C13H14N4O2/c1-4-19-12(18)5-11-8(2)16-13-10(6-14)7-15-17(13)9(11)3/h7H,4-5H2,1-3H3
InChIKeyUCCYVRQHZXPPKG-UHFFFAOYSA-N
XLogP1.32
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.32
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-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 754744) is ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is CCOC(=O)Cc1c(C)nc2c(C#N)cnn2c1C.
What is the InChIKey of ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is UCCYVRQHZXPPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-4-19-12(18)5-11-8(2)16-13-10(6-14)7-15-17(13)9(11)3/h7H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
ethyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 258.28 g/mol, XLogP of 1.32, 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-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 754744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).