2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide

C16H10F3N7O — CID 91629059

IUPAC2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide
SMILESO=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H10F3N7O/c17-16(18,19)13-6-14-20-7-10(9-25(14)24-13)22-15(27)12-8-21-26(23-12)11-4-2-1-3-5-11/h1-9H,(H,22,27)
InChIKeyDGFXQLNWMADPAL-UHFFFAOYSA-N
MW373.30 g/mol
LogP2.58
Rot. Bonds3

About 2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide

2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide (PubChem CID 91629059) has the molecular formula C16H10F3N7O and a molecular weight of 373.30 g/mol. Its IUPAC name is 2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide
PubChem CID91629059
Molecular FormulaC16H10F3N7O
Molecular Weight373.30 g/mol
Exact Mass373.09
IUPAC Name2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide
SMILESO=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H10F3N7O/c17-16(18,19)13-6-14-20-7-10(9-25(14)24-13)22-15(27)12-8-21-26(23-12)11-4-2-1-3-5-11/h1-9H,(H,22,27)
InChIKeyDGFXQLNWMADPAL-UHFFFAOYSA-N
XLogP2.58
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide (CID 91629059) is 2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide is O=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide?
The InChIKey is DGFXQLNWMADPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N7O/c17-16(18,19)13-6-14-20-7-10(9-25(14)24-13)22-15(27)12-8-21-26(23-12)11-4-2-1-3-5-11/h1-9H,(H,22,27).
What are the key properties of 2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide?
2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide has a molecular weight of 373.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide is sourced from PubChem (CID 91629059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).