6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C7H6N4O2 — CID 83670768

IUPAC6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNc1cnc2c(C(=O)O)cnn2c1
InChIInChI=1S/C7H6N4O2/c8-4-1-9-6-5(7(12)13)2-10-11(6)3-4/h1-3H,8H2,(H,12,13)
InChIKeyMTUYOQZQKOULHM-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.01
Rot. Bonds1

About 6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 83670768) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID83670768
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNc1cnc2c(C(=O)O)cnn2c1
InChIInChI=1S/C7H6N4O2/c8-4-1-9-6-5(7(12)13)2-10-11(6)3-4/h1-3H,8H2,(H,12,13)
InChIKeyMTUYOQZQKOULHM-UHFFFAOYSA-N
XLogP0.01
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 83670768) is 6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Nc1cnc2c(C(=O)O)cnn2c1.
What is the InChIKey of 6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is MTUYOQZQKOULHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-4-1-9-6-5(7(12)13)2-10-11(6)3-4/h1-3H,8H2,(H,12,13).
What are the key properties of 6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 83670768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).