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

C11H15F3N2O — CID 137483071

IUPAC1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol
SMILESCCn1nc(C(F)(F)F)c2c1CCC(C)(O)C2
InChIInChI=1S/C11H15F3N2O/c1-3-16-8-4-5-10(2,17)6-7(8)9(15-16)11(12,13)14/h17H,3-6H2,1-2H3
InChIKeyLTMYGKOZZFCAQQ-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.16
Rot. Bonds1

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

1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol (PubChem CID 137483071) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol.

Molecular Properties

Compound Name1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol
PubChem CID137483071
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol
SMILESCCn1nc(C(F)(F)F)c2c1CCC(C)(O)C2
InChIInChI=1S/C11H15F3N2O/c1-3-16-8-4-5-10(2,17)6-7(8)9(15-16)11(12,13)14/h17H,3-6H2,1-2H3
InChIKeyLTMYGKOZZFCAQQ-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol?
The IUPAC name of 1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol (CID 137483071) is 1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol.
What is the SMILES notation for 1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol?
The canonical SMILES for 1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol is CCn1nc(C(F)(F)F)c2c1CCC(C)(O)C2.
What is the InChIKey of 1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol?
The InChIKey is LTMYGKOZZFCAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-3-16-8-4-5-10(2,17)6-7(8)9(15-16)11(12,13)14/h17H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol?
1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol has a molecular weight of 248.25 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol is sourced from PubChem (CID 137483071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).