6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C8H5F3N4O2 — CID 84705598

IUPAC6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNc1cnc2c(C(=O)O)c(C(F)(F)F)nn2c1
InChIInChI=1S/C8H5F3N4O2/c9-8(10,11)5-4(7(16)17)6-13-1-3(12)2-15(6)14-5/h1-2H,12H2,(H,16,17)
InChIKeyRKNUUYZWWHXLMB-UHFFFAOYSA-N
MW246.15 g/mol
LogP1.03
Rot. Bonds1

About 6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 84705598) has the molecular formula C8H5F3N4O2 and a molecular weight of 246.15 g/mol. Its IUPAC name is 6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID84705598
Molecular FormulaC8H5F3N4O2
Molecular Weight246.15 g/mol
Exact Mass246.04
IUPAC Name6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNc1cnc2c(C(=O)O)c(C(F)(F)F)nn2c1
InChIInChI=1S/C8H5F3N4O2/c9-8(10,11)5-4(7(16)17)6-13-1-3(12)2-15(6)14-5/h1-2H,12H2,(H,16,17)
InChIKeyRKNUUYZWWHXLMB-UHFFFAOYSA-N
XLogP1.03
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 45602094
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CID 1491577
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CID 28818826
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CID 16792807
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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 84705598) is 6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Nc1cnc2c(C(=O)O)c(C(F)(F)F)nn2c1.
What is the InChIKey of 6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is RKNUUYZWWHXLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O2/c9-8(10,11)5-4(7(16)17)6-13-1-3(12)2-15(6)14-5/h1-2H,12H2,(H,16,17).
What are the key properties of 6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 246.15 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 84705598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).