5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C8H7N3O3 — CID 121208399

IUPAC5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ccn2ncc(C(=O)O)c2n1
InChIInChI=1S/C8H7N3O3/c1-14-6-2-3-11-7(10-6)5(4-9-11)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyVWEVMYPSYQLROA-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.44
Rot. Bonds2

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

5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 121208399) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID121208399
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ccn2ncc(C(=O)O)c2n1
InChIInChI=1S/C8H7N3O3/c1-14-6-2-3-11-7(10-6)5(4-9-11)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyVWEVMYPSYQLROA-UHFFFAOYSA-N
XLogP0.44
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6485410
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 1910189
Ethyl pyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 7021267
Ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10489397
Ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10965659
Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 58063474
Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 19883261
5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 71627116
Ethyl 7-(2,2-dimethylhydrazinyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 44317584
Ethyl 7-propoxypyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 44317905
Ethyl 7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 44317947
Ethyl 7-(diethylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 44317949

Frequently Asked Questions

What is the IUPAC name of 5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 121208399) is 5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COc1ccn2ncc(C(=O)O)c2n1.
What is the InChIKey of 5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is VWEVMYPSYQLROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-14-6-2-3-11-7(10-6)5(4-9-11)8(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 121208399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).