5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H8F4N4O — CID 646734

IUPAC5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C14H8F4N4O/c15-8-3-1-7(2-4-8)10-5-11(14(16,17)18)22-13(21-10)9(6-20-22)12(19)23/h1-6H,(H2,19,23)
InChIKeyKJZMBZJEOOUEKP-UHFFFAOYSA-N
MW324.24 g/mol
LogP2.65
Rot. Bonds2

About 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 646734) has the molecular formula C14H8F4N4O and a molecular weight of 324.24 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID646734
Molecular FormulaC14H8F4N4O
Molecular Weight324.24 g/mol
Exact Mass324.06
IUPAC Name5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C14H8F4N4O/c15-8-3-1-7(2-4-8)10-5-11(14(16,17)18)22-13(21-10)9(6-20-22)12(19)23/h1-6H,(H2,19,23)
InChIKeyKJZMBZJEOOUEKP-UHFFFAOYSA-N
XLogP2.65
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 646734) is 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KJZMBZJEOOUEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N4O/c15-8-3-1-7(2-4-8)10-5-11(14(16,17)18)22-13(21-10)9(6-20-22)12(19)23/h1-6H,(H2,19,23).
What are the key properties of 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 646734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).