3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C13H7F3N4O2 — CID 67132917

IUPAC3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nn2c(C(F)(F)F)ccnc2c1-c1ccccn1
InChIInChI=1S/C13H7F3N4O2/c14-13(15,16)8-4-6-18-11-9(7-3-1-2-5-17-7)10(12(21)22)19-20(8)11/h1-6H,(H,21,22)
InChIKeyXTFAGHBLMNTGMG-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.51
Rot. Bonds2

About 3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 67132917) has the molecular formula C13H7F3N4O2 and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID67132917
Molecular FormulaC13H7F3N4O2
Molecular Weight308.22 g/mol
Exact Mass308.05
IUPAC Name3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nn2c(C(F)(F)F)ccnc2c1-c1ccccn1
InChIInChI=1S/C13H7F3N4O2/c14-13(15,16)8-4-6-18-11-9(7-3-1-2-5-17-7)10(12(21)22)19-20(8)11/h1-6H,(H,21,22)
InChIKeyXTFAGHBLMNTGMG-UHFFFAOYSA-N
XLogP2.51
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 67132917) is 3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1nn2c(C(F)(F)F)ccnc2c1-c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is XTFAGHBLMNTGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4O2/c14-13(15,16)8-4-6-18-11-9(7-3-1-2-5-17-7)10(12(21)22)19-20(8)11/h1-6H,(H,21,22).
What are the key properties of 3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 308.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 67132917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).