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

C10H11F3N2O — CID 118357717

IUPAC1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one
SMILESCCn1nc(C(F)(F)F)c2c1CC(=O)CC2
InChIInChI=1S/C10H11F3N2O/c1-2-15-8-5-6(16)3-4-7(8)9(14-15)10(11,12)13/h2-5H2,1H3
InChIKeyZCULFYRNSQYHBR-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.98
Rot. Bonds1

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

1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one (PubChem CID 118357717) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one
PubChem CID118357717
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one
SMILESCCn1nc(C(F)(F)F)c2c1CC(=O)CC2
InChIInChI=1S/C10H11F3N2O/c1-2-15-8-5-6(16)3-4-7(8)9(14-15)10(11,12)13/h2-5H2,1H3
InChIKeyZCULFYRNSQYHBR-UHFFFAOYSA-N
XLogP1.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one (CID 118357717) is 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one is CCn1nc(C(F)(F)F)c2c1CC(=O)CC2.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one?
The InChIKey is ZCULFYRNSQYHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-2-15-8-5-6(16)3-4-7(8)9(14-15)10(11,12)13/h2-5H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one?
1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one has a molecular weight of 232.20 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one is sourced from PubChem (CID 118357717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).