2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol

C19H14F3N7O — CID 4162276

IUPAC2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESNc1cc2ncnn2c(N2N=C(c3ccc4ccccc4c3)CC2(O)C(F)(F)F)n1
InChIInChI=1S/C19H14F3N7O/c20-19(21,22)18(30)9-14(13-6-5-11-3-1-2-4-12(11)7-13)27-29(18)17-26-15(23)8-16-24-10-25-28(16)17/h1-8,10,30H,9,23H2
InChIKeyDIMPLXZFYXKGLE-UHFFFAOYSA-N
MW413.36 g/mol
LogP2.72
Rot. Bonds2

About 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol

2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 4162276) has the molecular formula C19H14F3N7O and a molecular weight of 413.36 g/mol. Its IUPAC name is 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID4162276
Molecular FormulaC19H14F3N7O
Molecular Weight413.36 g/mol
Exact Mass413.12
IUPAC Name2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESNc1cc2ncnn2c(N2N=C(c3ccc4ccccc4c3)CC2(O)C(F)(F)F)n1
InChIInChI=1S/C19H14F3N7O/c20-19(21,22)18(30)9-14(13-6-5-11-3-1-2-4-12(11)7-13)27-29(18)17-26-15(23)8-16-24-10-25-28(16)17/h1-8,10,30H,9,23H2
InChIKeyDIMPLXZFYXKGLE-UHFFFAOYSA-N
XLogP2.72
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 4162276) is 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol is Nc1cc2ncnn2c(N2N=C(c3ccc4ccccc4c3)CC2(O)C(F)(F)F)n1.
What is the InChIKey of 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is DIMPLXZFYXKGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7O/c20-19(21,22)18(30)9-14(13-6-5-11-3-1-2-4-12(11)7-13)27-29(18)17-26-15(23)8-16-24-10-25-28(16)17/h1-8,10,30H,9,23H2.
What are the key properties of 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 413.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-5-naphthalen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 4162276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).