ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate

C9H10N4O2 — CID 10965659

IUPACethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccnn2c1N
InChIInChI=1S/C9H10N4O2/c1-2-15-9(14)6-5-11-7-3-4-12-13(7)8(6)10/h3-5H,2,10H2,1H3
InChIKeyZIFBETMYJIGYRV-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.49
Rot. Bonds2

About ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 10965659) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID10965659
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Nameethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccnn2c1N
InChIInChI=1S/C9H10N4O2/c1-2-15-9(14)6-5-11-7-3-4-12-13(7)8(6)10/h3-5H,2,10H2,1H3
InChIKeyZIFBETMYJIGYRV-UHFFFAOYSA-N
XLogP0.49
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 10965659) is ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2ccnn2c1N.
What is the InChIKey of ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is ZIFBETMYJIGYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-15-9(14)6-5-11-7-3-4-12-13(7)8(6)10/h3-5H,2,10H2,1H3.
What are the key properties of ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 206.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 10965659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).