6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C15H7F6N3O2 — CID 87792303

IUPAC6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(C(F)(F)F)c(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H7F6N3O2/c16-14(17,18)8-3-1-7(2-4-8)11-10(15(19,20)21)6-24-12(23-11)9(5-22-24)13(25)26/h1-6H,(H,25,26)
InChIKeyRHEIZZIBXITSQR-UHFFFAOYSA-N
MW375.23 g/mol
LogP4.13
Rot. Bonds2

About 6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 87792303) has the molecular formula C15H7F6N3O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID87792303
Molecular FormulaC15H7F6N3O2
Molecular Weight375.23 g/mol
Exact Mass375.04
IUPAC Name6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(C(F)(F)F)c(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H7F6N3O2/c16-14(17,18)8-3-1-7(2-4-8)11-10(15(19,20)21)6-24-12(23-11)9(5-22-24)13(25)26/h1-6H,(H,25,26)
InChIKeyRHEIZZIBXITSQR-UHFFFAOYSA-N
XLogP4.13
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 87792303) is 6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2cc(C(F)(F)F)c(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is RHEIZZIBXITSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N3O2/c16-14(17,18)8-3-1-7(2-4-8)11-10(15(19,20)21)6-24-12(23-11)9(5-22-24)13(25)26/h1-6H,(H,25,26).
What are the key properties of 6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 375.23 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 87792303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).