ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate

C10H9N5O2 — CID 721646

IUPACethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N)c(C#N)cnc12
InChIInChI=1S/C10H9N5O2/c1-2-17-10(16)7-5-14-15-8(12)6(3-11)4-13-9(7)15/h4-5H,2,12H2,1H3
InChIKeyJVOULPIPWYLYJP-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.36
Rot. Bonds2

About ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 721646) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID721646
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Nameethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N)c(C#N)cnc12
InChIInChI=1S/C10H9N5O2/c1-2-17-10(16)7-5-14-15-8(12)6(3-11)4-13-9(7)15/h4-5H,2,12H2,1H3
InChIKeyJVOULPIPWYLYJP-UHFFFAOYSA-N
XLogP0.36
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 721646) is ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(N)c(C#N)cnc12.
What is the InChIKey of ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is JVOULPIPWYLYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c1-2-17-10(16)7-5-14-15-8(12)6(3-11)4-13-9(7)15/h4-5H,2,12H2,1H3.
What are the key properties of ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 231.22 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 721646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).