5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C9H3F6N3O2 — CID 53212229

IUPAC5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12
InChIInChI=1S/C9H3F6N3O2/c10-8(11,12)4-1-5(9(13,14)15)18-6(17-4)3(2-16-18)7(19)20/h1-2H,(H,19,20)
InChIKeyVQKIMLQGJTZVLZ-UHFFFAOYSA-N
MW299.13 g/mol
LogP2.47
Rot. Bonds1

About 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 53212229) has the molecular formula C9H3F6N3O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID53212229
Molecular FormulaC9H3F6N3O2
Molecular Weight299.13 g/mol
Exact Mass299.01
IUPAC Name5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12
InChIInChI=1S/C9H3F6N3O2/c10-8(11,12)4-1-5(9(13,14)15)18-6(17-4)3(2-16-18)7(19)20/h1-2H,(H,19,20)
InChIKeyVQKIMLQGJTZVLZ-UHFFFAOYSA-N
XLogP2.47
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 53212229) is 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12.
What is the InChIKey of 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is VQKIMLQGJTZVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F6N3O2/c10-8(11,12)4-1-5(9(13,14)15)18-6(17-4)3(2-16-18)7(19)20/h1-2H,(H,19,20).
What are the key properties of 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 299.13 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 53212229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).