5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C13H9N3O4S — CID 59461413

IUPAC5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C13H9N3O4S/c1-20-13(19)8-5-9(12(17)18)16-11(14-8)6-7(15-16)10-3-2-4-21-10/h2-6H,1H3,(H,17,18)
InChIKeyYEOGMNNZIQCXND-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.94
Rot. Bonds3

About 5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 59461413) has the molecular formula C13H9N3O4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID59461413
Molecular FormulaC13H9N3O4S
Molecular Weight303.30 g/mol
Exact Mass303.03
IUPAC Name5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C13H9N3O4S/c1-20-13(19)8-5-9(12(17)18)16-11(14-8)6-7(15-16)10-3-2-4-21-10/h2-6H,1H3,(H,17,18)
InChIKeyYEOGMNNZIQCXND-UHFFFAOYSA-N
XLogP1.94
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3,4-difluorophenyl)methanamine;dimethyl 2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxylate
CID 161113232
methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 4767067
N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040480
N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040477
(7-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-morpholin-4-ylmethanone
CID 53040628
N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040500
7-methoxycarbonyl-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 143346586
7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040519
(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270412
dimethyl 5-[(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 16552895
1-benzyl-3-thiophen-2-ylpyrazole-5-carboxylic acid
CID 82378437
methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate
CID 174493597

Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 59461413) is 5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is COC(=O)c1cc(C(=O)O)n2nc(-c3cccs3)cc2n1.
What is the InChIKey of 5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is YEOGMNNZIQCXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4S/c1-20-13(19)8-5-9(12(17)18)16-11(14-8)6-7(15-16)10-3-2-4-21-10/h2-6H,1H3,(H,17,18).
What are the key properties of 5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 303.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 59461413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).