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

C19H13F3N4O — CID 71802717

IUPAC2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1c2cc(-c3ccccc3)nn2cnn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)15-8-4-5-13(9-15)11-25-18(27)17-10-16(24-26(17)12-23-25)14-6-2-1-3-7-14/h1-10,12H,11H2
InChIKeyBKZGOPPFLCCDHV-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.63
Rot. Bonds3

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

2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 71802717) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID71802717
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1c2cc(-c3ccccc3)nn2cnn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)15-8-4-5-13(9-15)11-25-18(27)17-10-16(24-26(17)12-23-25)14-6-2-1-3-7-14/h1-10,12H,11H2
InChIKeyBKZGOPPFLCCDHV-UHFFFAOYSA-N
XLogP3.63
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331785
2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
CID 56771106
5-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331767
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50926052
2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331774
6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 8699136
2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332186
2-[2-(3-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
CID 56771119
5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331782
2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 27372818
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926077
4-(2-phenylethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
CID 53058762

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 71802717) is 2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is O=c1c2cc(-c3ccccc3)nn2cnn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is BKZGOPPFLCCDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c20-19(21,22)15-8-4-5-13(9-15)11-25-18(27)17-10-16(24-26(17)12-23-25)14-6-2-1-3-7-14/h1-10,12H,11H2.
What are the key properties of 2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 370.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 71802717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).