2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

C19H12F4N4O — CID 53331785

IUPAC2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F4N4O/c20-15-6-4-13(5-7-15)16-9-17-18(28)26(24-11-27(17)25-16)10-12-2-1-3-14(8-12)19(21,22)23/h1-9,11H,10H2
InChIKeyMAQWMTHDXGFPQT-UHFFFAOYSA-N
MW388.32 g/mol
LogP3.76
Rot. Bonds3

About 2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 53331785) has the molecular formula C19H12F4N4O and a molecular weight of 388.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID53331785
Molecular FormulaC19H12F4N4O
Molecular Weight388.32 g/mol
Exact Mass388.09
IUPAC Name2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F4N4O/c20-15-6-4-13(5-7-15)16-9-17-18(28)26(24-11-27(17)25-16)10-12-2-1-3-14(8-12)19(21,22)23/h1-9,11H,10H2
InChIKeyMAQWMTHDXGFPQT-UHFFFAOYSA-N
XLogP3.76
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 71802717
5-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331767
2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331774
2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
CID 56771106
5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331782
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50926052
N-ethyl-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-phenylacetamide
CID 29279203
5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 172893757
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279274
4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 19586843
2-[2-(3-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
CID 56771119
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 53331785) is 2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is O=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is MAQWMTHDXGFPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O/c20-15-6-4-13(5-7-15)16-9-17-18(28)26(24-11-27(17)25-16)10-12-2-1-3-14(8-12)19(21,22)23/h1-9,11H,10H2.
What are the key properties of 2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 388.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 53331785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).