3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C10H9N3O4 — CID 71756736

IUPAC3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCCOC(=O)c1cnn2c(C(=O)O)ccnc12
InChIInChI=1S/C10H9N3O4/c1-2-17-10(16)6-5-12-13-7(9(14)15)3-4-11-8(6)13/h3-5H,2H2,1H3,(H,14,15)
InChIKeyWQZHWQNQGATNGH-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.60
Rot. Bonds3

About 3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 71756736) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID71756736
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCCOC(=O)c1cnn2c(C(=O)O)ccnc12
InChIInChI=1S/C10H9N3O4/c1-2-17-10(16)6-5-12-13-7(9(14)15)3-4-11-8(6)13/h3-5H,2H2,1H3,(H,14,15)
InChIKeyWQZHWQNQGATNGH-UHFFFAOYSA-N
XLogP0.60
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 71756736) is 3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is CCOC(=O)c1cnn2c(C(=O)O)ccnc12.
What is the InChIKey of 3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is WQZHWQNQGATNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-2-17-10(16)6-5-12-13-7(9(14)15)3-4-11-8(6)13/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 71756736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).