[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol

C15H15F3N2O — CID 14576208

IUPAC[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol
SMILESOCc1nn(-c2cccc(C(F)(F)F)c2)c2c1CCCC2
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)10-4-3-5-11(8-10)20-14-7-2-1-6-12(14)13(9-21)19-20/h3-5,8,21H,1-2,6-7,9H2
InChIKeyJSDFBPOJPLOLGU-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.26
Rot. Bonds2

About [1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol

[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol (PubChem CID 14576208) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol
PubChem CID14576208
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol
SMILESOCc1nn(-c2cccc(C(F)(F)F)c2)c2c1CCCC2
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)10-4-3-5-11(8-10)20-14-7-2-1-6-12(14)13(9-21)19-20/h3-5,8,21H,1-2,6-7,9H2
InChIKeyJSDFBPOJPLOLGU-UHFFFAOYSA-N
XLogP3.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol?
The IUPAC name of [1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol (CID 14576208) is [1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol.
What is the SMILES notation for [1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol?
The canonical SMILES for [1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol is OCc1nn(-c2cccc(C(F)(F)F)c2)c2c1CCCC2.
What is the InChIKey of [1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol?
The InChIKey is JSDFBPOJPLOLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)10-4-3-5-11(8-10)20-14-7-2-1-6-12(14)13(9-21)19-20/h3-5,8,21H,1-2,6-7,9H2.
What are the key properties of [1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol?
[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol has a molecular weight of 296.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]methanol is sourced from PubChem (CID 14576208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).