2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid

C10H9F3N2O3 — CID 71186792

IUPAC2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)(F)F)c2c1CCCC2=O
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)9-8-5(2-1-3-6(8)16)15(14-9)4-7(17)18/h1-4H2,(H,17,18)
InChIKeyDADXIJIFCKGSCQ-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.51
Rot. Bonds2

About 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid

2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid (PubChem CID 71186792) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid
PubChem CID71186792
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)(F)F)c2c1CCCC2=O
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)9-8-5(2-1-3-6(8)16)15(14-9)4-7(17)18/h1-4H2,(H,17,18)
InChIKeyDADXIJIFCKGSCQ-UHFFFAOYSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid
CID 788039
1-(2-Hydroxyethyl)-3-Methyl-6,7-Dihydro-5~{h}-Indazol-4-One
CID 660882
ethyl (3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetate
CID 950072
1,3-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 14126679
2,3-dimethyl-6,7-dihydro-5H-indazol-4-one
CID 68059397
2-(3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetic acid
CID 165740424
2-(3,6-Trimethyl-4-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetic acid
CID 54613715
3-(2-Cyclopentylethyl)-5,5-dimethyl-1-(2,2,2-trifluoroethyl)-6,7-dihydroindazol-4-one
CID 22732646
3-(2-Cyclopentylethyl)-7,7-dimethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydroindazol-4-one
CID 22732886
1,6,6-Trimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one
CID 46899840
3-Cyclopropyl-7,7-dimethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydroindazol-4-one
CID 69689118
3-Cyclopropyl-5,5-dimethyl-1-(2,2,2-trifluoroethyl)-6,7-dihydroindazol-4-one
CID 69689190

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid?
The IUPAC name of 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid (CID 71186792) is 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid is O=C(O)Cn1nc(C(F)(F)F)c2c1CCCC2=O.
What is the InChIKey of 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid?
The InChIKey is DADXIJIFCKGSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c11-10(12,13)9-8-5(2-1-3-6(8)16)15(14-9)4-7(17)18/h1-4H2,(H,17,18).
What are the key properties of 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid?
2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid has a molecular weight of 262.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid is sourced from PubChem (CID 71186792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).