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

C15H9F4N3O2 — CID 69372470

IUPAC2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(CF)nn2ccc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H9F4N3O2/c16-7-11-12(14(23)24)13-20-10(5-6-22(13)21-11)8-1-3-9(4-2-8)15(17,18)19/h1-6H,7H2,(H,23,24)
InChIKeyLQPNBPWRUXWFBB-UHFFFAOYSA-N
MW339.25 g/mol
LogP3.58
Rot. Bonds3

About 2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 69372470) has the molecular formula C15H9F4N3O2 and a molecular weight of 339.25 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID69372470
Molecular FormulaC15H9F4N3O2
Molecular Weight339.25 g/mol
Exact Mass339.06
IUPAC Name2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(CF)nn2ccc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H9F4N3O2/c16-7-11-12(14(23)24)13-20-10(5-6-22(13)21-11)8-1-3-9(4-2-8)15(17,18)19/h1-6H,7H2,(H,23,24)
InChIKeyLQPNBPWRUXWFBB-UHFFFAOYSA-N
XLogP3.58
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 69372470) is 2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1c(CF)nn2ccc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is LQPNBPWRUXWFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O2/c16-7-11-12(14(23)24)13-20-10(5-6-22(13)21-11)8-1-3-9(4-2-8)15(17,18)19/h1-6H,7H2,(H,23,24).
What are the key properties of 2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 339.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 69372470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).