5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H7F9N4O — CID 2821142

IUPAC5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12
InChIInChI=1S/C16H7F9N4O/c17-14(18,19)7-2-1-3-8(4-7)27-13(30)9-6-26-29-11(16(23,24)25)5-10(15(20,21)22)28-12(9)29/h1-6H,(H,27,30)
InChIKeyQGWITWSFJTYWMK-UHFFFAOYSA-N
MW442.24 g/mol
LogP5.04
Rot. Bonds2

About 5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2821142) has the molecular formula C16H7F9N4O and a molecular weight of 442.24 g/mol. Its IUPAC name is 5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2821142
Molecular FormulaC16H7F9N4O
Molecular Weight442.24 g/mol
Exact Mass442.05
IUPAC Name5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12
InChIInChI=1S/C16H7F9N4O/c17-14(18,19)7-2-1-3-8(4-7)27-13(30)9-6-26-29-11(16(23,24)25)5-10(15(20,21)22)28-12(9)29/h1-6H,(H,27,30)
InChIKeyQGWITWSFJTYWMK-UHFFFAOYSA-N
XLogP5.04
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.24
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1110985
7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11585073
N-[3-(trifluoromethyl)phenyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919301
N-(3-chlorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298665
6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2978702
N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3123077
5-naphthalen-1-yl-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19461927
N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50793938
5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11585003
N-(3,5-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 22333509
5-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460174
N-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1369870

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2821142) is 5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12.
What is the InChIKey of 5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QGWITWSFJTYWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F9N4O/c17-14(18,19)7-2-1-3-8(4-7)27-13(30)9-6-26-29-11(16(23,24)25)5-10(15(20,21)22)28-12(9)29/h1-6H,(H,27,30).
What are the key properties of 5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 442.24 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2821142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).