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

C10H8N4O2 — CID 122163468

IUPACethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(C#N)nc12
InChIInChI=1S/C10H8N4O2/c1-2-16-10(15)8-6-12-14-4-3-7(5-11)13-9(8)14/h3-4,6H,2H2,1H3
InChIKeyOWASETHGWNBXBJ-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.78
Rot. Bonds2

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

ethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 122163468) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is ethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID122163468
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Nameethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(C#N)nc12
InChIInChI=1S/C10H8N4O2/c1-2-16-10(15)8-6-12-14-4-3-7(5-11)13-9(8)14/h3-4,6H,2H2,1H3
InChIKeyOWASETHGWNBXBJ-UHFFFAOYSA-N
XLogP0.78
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 122163468) is ethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(C#N)nc12.
What is the InChIKey of ethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is OWASETHGWNBXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c1-2-16-10(15)8-6-12-14-4-3-7(5-11)13-9(8)14/h3-4,6H,2H2,1H3.
What are the key properties of ethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 216.20 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 122163468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).