1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol

C11H15F3N2O — CID 118357710

IUPAC1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
SMILESCCn1nc(C(F)(F)F)c2c1C(C)(O)CCC2
InChIInChI=1S/C11H15F3N2O/c1-3-16-9-7(5-4-6-10(9,2)17)8(15-16)11(12,13)14/h17H,3-6H2,1-2H3
InChIKeyQNGXUTXIMREJLU-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.47
Rot. Bonds1

About 1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol

1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol (PubChem CID 118357710) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol.

Molecular Properties

Compound Name1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
PubChem CID118357710
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
SMILESCCn1nc(C(F)(F)F)c2c1C(C)(O)CCC2
InChIInChI=1S/C11H15F3N2O/c1-3-16-9-7(5-4-6-10(9,2)17)8(15-16)11(12,13)14/h17H,3-6H2,1-2H3
InChIKeyQNGXUTXIMREJLU-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol?
The IUPAC name of 1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol (CID 118357710) is 1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol.
What is the SMILES notation for 1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol?
The canonical SMILES for 1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol is CCn1nc(C(F)(F)F)c2c1C(C)(O)CCC2.
What is the InChIKey of 1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol?
The InChIKey is QNGXUTXIMREJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-3-16-9-7(5-4-6-10(9,2)17)8(15-16)11(12,13)14/h17H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol?
1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol has a molecular weight of 248.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol is sourced from PubChem (CID 118357710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).