ethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C11H11N5O2 — CID 977519

IUPACethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(C#N)c(C)nn2c1N
InChIInChI=1S/C11H11N5O2/c1-3-18-11(17)8-5-14-10-7(4-12)6(2)15-16(10)9(8)13/h5H,3,13H2,1-2H3
InChIKeyRBHHXWLZGXOQIU-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.67
Rot. Bonds2

About ethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 977519) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is ethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID977519
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Nameethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(C#N)c(C)nn2c1N
InChIInChI=1S/C11H11N5O2/c1-3-18-11(17)8-5-14-10-7(4-12)6(2)15-16(10)9(8)13/h5H,3,13H2,1-2H3
InChIKeyRBHHXWLZGXOQIU-UHFFFAOYSA-N
XLogP0.67
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 977519) is ethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(C#N)c(C)nn2c1N.
What is the InChIKey of ethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is RBHHXWLZGXOQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-3-18-11(17)8-5-14-10-7(4-12)6(2)15-16(10)9(8)13/h5H,3,13H2,1-2H3.
What are the key properties of ethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 245.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-3-cyano-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 977519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).