ethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C10H10N4O3 — CID 146049858

IUPACethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(C(N)=O)cnc12
InChIInChI=1S/C10H10N4O3/c1-2-17-10(16)7-4-13-14-5-6(8(11)15)3-12-9(7)14/h3-5H,2H2,1H3,(H2,11,15)
InChIKeyZUECHJKAQIWFIR-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.00
Rot. Bonds3

About ethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 146049858) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is ethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID146049858
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Nameethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(C(N)=O)cnc12
InChIInChI=1S/C10H10N4O3/c1-2-17-10(16)7-4-13-14-5-6(8(11)15)3-12-9(7)14/h3-5H,2H2,1H3,(H2,11,15)
InChIKeyZUECHJKAQIWFIR-UHFFFAOYSA-N
XLogP0.00
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 146049858) is ethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2cc(C(N)=O)cnc12.
What is the InChIKey of ethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is ZUECHJKAQIWFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-2-17-10(16)7-4-13-14-5-6(8(11)15)3-12-9(7)14/h3-5H,2H2,1H3,(H2,11,15).
What are the key properties of ethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 234.22 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 146049858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).