3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C10H9N3O5 — CID 67540522

IUPAC3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCOC(=O)c1c[nH]n2c(=O)c(C(=O)O)cnc12
InChIInChI=1S/C10H9N3O5/c1-2-18-10(17)5-4-12-13-7(5)11-3-6(8(13)14)9(15)16/h3-4,12H,2H2,1H3,(H,15,16)
InChIKeyDZKXLVYOROEYOK-UHFFFAOYSA-N
MW251.20 g/mol
LogP-0.10
Rot. Bonds3

About 3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 67540522) has the molecular formula C10H9N3O5 and a molecular weight of 251.20 g/mol. Its IUPAC name is 3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID67540522
Molecular FormulaC10H9N3O5
Molecular Weight251.20 g/mol
Exact Mass251.05
IUPAC Name3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCOC(=O)c1c[nH]n2c(=O)c(C(=O)O)cnc12
InChIInChI=1S/C10H9N3O5/c1-2-18-10(17)5-4-12-13-7(5)11-3-6(8(13)14)9(15)16/h3-4,12H,2H2,1H3,(H,15,16)
InChIKeyDZKXLVYOROEYOK-UHFFFAOYSA-N
XLogP-0.10
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate
CID 139267074
CID 171352742
CID 171352742
ethyl 3-diethoxyphosphoryl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-8-carboxylate
CID 15401293
ethyl 6-benzyl-5-chloro-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 54768557
3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 118607699
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
ethyl 7-oxo-2-pyridin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 14318721
ethyl 7-oxo-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 1377800
ethyl 5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
CID 7454231
ethyl 5-(1-ethylindazol-5-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 90111692
ethyl 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate
CID 12778914
ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 162494493

Frequently Asked Questions

What is the IUPAC name of 3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 67540522) is 3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is CCOC(=O)c1c[nH]n2c(=O)c(C(=O)O)cnc12.
What is the InChIKey of 3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is DZKXLVYOROEYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5/c1-2-18-10(17)5-4-12-13-7(5)11-3-6(8(13)14)9(15)16/h3-4,12H,2H2,1H3,(H,15,16).
What are the key properties of 3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 251.20 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 67540522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).