1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid

C11H12N4O2 — CID 166981701

IUPAC1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid
SMILESCC(C1CC1)n1ncc2cnc(C(=O)O)nc21
InChIInChI=1S/C11H12N4O2/c1-6(7-2-3-7)15-10-8(5-13-15)4-12-9(14-10)11(16)17/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyOXDNABNADLXQNB-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.50
Rot. Bonds3

About 1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid

1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid (PubChem CID 166981701) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid
PubChem CID166981701
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid
SMILESCC(C1CC1)n1ncc2cnc(C(=O)O)nc21
InChIInChI=1S/C11H12N4O2/c1-6(7-2-3-7)15-10-8(5-13-15)4-12-9(14-10)11(16)17/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyOXDNABNADLXQNB-UHFFFAOYSA-N
XLogP1.50
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid (CID 166981701) is 1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid is CC(C1CC1)n1ncc2cnc(C(=O)O)nc21.
What is the InChIKey of 1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid?
The InChIKey is OXDNABNADLXQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6(7-2-3-7)15-10-8(5-13-15)4-12-9(14-10)11(16)17/h4-7H,2-3H2,1H3,(H,16,17).
What are the key properties of 1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid?
1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 166981701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).