1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid

C7H6N4O2 — CID 84656301

IUPAC1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2cncnc21
InChIInChI=1S/C7H6N4O2/c1-11-6-4(2-8-3-9-6)5(10-11)7(12)13/h2-3H,1H3,(H,12,13)
InChIKeyBLFQBUYZSTZLER-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.06
Rot. Bonds1

About 1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid

1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid (PubChem CID 84656301) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid
PubChem CID84656301
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2cncnc21
InChIInChI=1S/C7H6N4O2/c1-11-6-4(2-8-3-9-6)5(10-11)7(12)13/h2-3H,1H3,(H,12,13)
InChIKeyBLFQBUYZSTZLER-UHFFFAOYSA-N
XLogP0.06
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid (CID 84656301) is 1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid is Cn1nc(C(=O)O)c2cncnc21.
What is the InChIKey of 1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The InChIKey is BLFQBUYZSTZLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-11-6-4(2-8-3-9-6)5(10-11)7(12)13/h2-3H,1H3,(H,12,13).
What are the key properties of 1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 84656301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).