7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol

C12H17F3N2O — CID 129128459

IUPAC7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
SMILESCC(C)n1nc(C(F)(F)F)c2c1C(C)(O)CCC2
InChIInChI=1S/C12H17F3N2O/c1-7(2)17-10-8(5-4-6-11(10,3)18)9(16-17)12(13,14)15/h7,18H,4-6H2,1-3H3
InChIKeyZZEZUCQLZFILCF-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.03
Rot. Bonds1

About 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol

7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol (PubChem CID 129128459) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol.

Molecular Properties

Compound Name7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
PubChem CID129128459
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
SMILESCC(C)n1nc(C(F)(F)F)c2c1C(C)(O)CCC2
InChIInChI=1S/C12H17F3N2O/c1-7(2)17-10-8(5-4-6-11(10,3)18)9(16-17)12(13,14)15/h7,18H,4-6H2,1-3H3
InChIKeyZZEZUCQLZFILCF-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol?
The IUPAC name of 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol (CID 129128459) is 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol.
What is the SMILES notation for 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol?
The canonical SMILES for 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol is CC(C)n1nc(C(F)(F)F)c2c1C(C)(O)CCC2.
What is the InChIKey of 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol?
The InChIKey is ZZEZUCQLZFILCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-7(2)17-10-8(5-4-6-11(10,3)18)9(16-17)12(13,14)15/h7,18H,4-6H2,1-3H3.
What are the key properties of 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol?
7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol has a molecular weight of 262.27 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol is sourced from PubChem (CID 129128459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).