5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

C19H14F3N5O — CID 15998969

IUPAC5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESOC1(C(F)(F)F)CC(c2ccccc2)=NN1c1nncc(-c2ccccc2)n1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)18(28)11-15(13-7-3-1-4-8-13)26-27(18)17-24-16(12-23-25-17)14-9-5-2-6-10-14/h1-10,12,28H,11H2
InChIKeyWMVVKJZPMQWIBW-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.40
Rot. Bonds3

About 5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 15998969) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID15998969
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESOC1(C(F)(F)F)CC(c2ccccc2)=NN1c1nncc(-c2ccccc2)n1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)18(28)11-15(13-7-3-1-4-8-13)26-27(18)17-24-16(12-23-25-17)14-9-5-2-6-10-14/h1-10,12,28H,11H2
InChIKeyWMVVKJZPMQWIBW-UHFFFAOYSA-N
XLogP3.40
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 15998969) is 5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is OC1(C(F)(F)F)CC(c2ccccc2)=NN1c1nncc(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is WMVVKJZPMQWIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c20-19(21,22)18(28)11-15(13-7-3-1-4-8-13)26-27(18)17-24-16(12-23-25-17)14-9-5-2-6-10-14/h1-10,12,28H,11H2.
What are the key properties of 5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 385.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(5-phenyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 15998969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).