5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C8H7N3O3 — CID 84664492

IUPAC5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOc1nc2ccnn2cc1C(=O)O
InChIInChI=1S/C8H7N3O3/c1-14-7-5(8(12)13)4-11-6(10-7)2-3-9-11/h2-4H,1H3,(H,12,13)
InChIKeyMCTHQBYNQRPJPS-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.44
Rot. Bonds2

About 5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid

5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 84664492) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID84664492
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOc1nc2ccnn2cc1C(=O)O
InChIInChI=1S/C8H7N3O3/c1-14-7-5(8(12)13)4-11-6(10-7)2-3-9-11/h2-4H,1H3,(H,12,13)
InChIKeyMCTHQBYNQRPJPS-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

(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 136545668
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
6-bromo-2-methoxypyridine-3-carboxylic acid
CID 71303922
2-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
CID 163365302
methyl pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 130118834
6-(dimethoxymethyl)-2-methoxypyridine-3-carboxylic acid
CID 67398889
7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 84674888
bicyclo[3.1.0]hexa-1(6),2,4-triene;5-(3-ethynylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 87513934
1-methoxyisoquinoline-5-carboxylic acid
CID 82569725
3-methoxy-1,2-oxazole-4-carboxylic acid
CID 24860323
6-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680674
5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121208399

Frequently Asked Questions

What is the IUPAC name of 5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 84664492) is 5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid is COc1nc2ccnn2cc1C(=O)O.
What is the InChIKey of 5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is MCTHQBYNQRPJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-14-7-5(8(12)13)4-11-6(10-7)2-3-9-11/h2-4H,1H3,(H,12,13).
What are the key properties of 5-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
5-methoxypyrazolo[1,5-a]pyrimidine-6-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-6-carboxylic acid is sourced from PubChem (CID 84664492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).