1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol

C10H13F3N2O — CID 118357663

IUPAC1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
SMILESCCn1nc(C(F)(F)F)c2c1CCC(O)C2
InChIInChI=1S/C10H13F3N2O/c1-2-15-8-4-3-6(16)5-7(8)9(14-15)10(11,12)13/h6,16H,2-5H2,1H3
InChIKeyIFNMGWGMIDTIKQ-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.77
Rot. Bonds1

About 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol

1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol (PubChem CID 118357663) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
PubChem CID118357663
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
SMILESCCn1nc(C(F)(F)F)c2c1CCC(O)C2
InChIInChI=1S/C10H13F3N2O/c1-2-15-8-4-3-6(16)5-7(8)9(14-15)10(11,12)13/h6,16H,2-5H2,1H3
InChIKeyIFNMGWGMIDTIKQ-UHFFFAOYSA-N
XLogP1.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol (CID 118357663) is 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol is CCn1nc(C(F)(F)F)c2c1CCC(O)C2.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol?
The InChIKey is IFNMGWGMIDTIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-15-8-4-3-6(16)5-7(8)9(14-15)10(11,12)13/h6,16H,2-5H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol?
1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol has a molecular weight of 234.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol is sourced from PubChem (CID 118357663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).