2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C7H5ClN4O2 — CID 86732600

IUPAC2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNc1nn2cc(Cl)cnc2c1C(=O)O
InChIInChI=1S/C7H5ClN4O2/c8-3-1-10-6-4(7(13)14)5(9)11-12(6)2-3/h1-2H,(H2,9,11)(H,13,14)
InChIKeyHTJFUIVQIDJTQZ-UHFFFAOYSA-N
MW212.60 g/mol
LogP0.66
Rot. Bonds1

About 2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 86732600) has the molecular formula C7H5ClN4O2 and a molecular weight of 212.60 g/mol. Its IUPAC name is 2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID86732600
Molecular FormulaC7H5ClN4O2
Molecular Weight212.60 g/mol
Exact Mass212.01
IUPAC Name2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNc1nn2cc(Cl)cnc2c1C(=O)O
InChIInChI=1S/C7H5ClN4O2/c8-3-1-10-6-4(7(13)14)5(9)11-12(6)2-3/h1-2H,(H2,9,11)(H,13,14)
InChIKeyHTJFUIVQIDJTQZ-UHFFFAOYSA-N
XLogP0.66
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 86732600) is 2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Nc1nn2cc(Cl)cnc2c1C(=O)O.
What is the InChIKey of 2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is HTJFUIVQIDJTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O2/c8-3-1-10-6-4(7(13)14)5(9)11-12(6)2-3/h1-2H,(H2,9,11)(H,13,14).
What are the key properties of 2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 212.60 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 86732600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).