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

C8H7F3N2O — CID 57367068

IUPAC3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one
SMILESO=C1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7-5-3-4(14)1-2-6(5)12-13-7/h1-3H2,(H,12,13)
InChIKeyAVBAYOAVSLNNSQ-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.49
Rot. Bonds

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

3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one (PubChem CID 57367068) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one
PubChem CID57367068
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one
SMILESO=C1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7-5-3-4(14)1-2-6(5)12-13-7/h1-3H2,(H,12,13)
InChIKeyAVBAYOAVSLNNSQ-UHFFFAOYSA-N
XLogP1.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 657436
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2802863
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 66672245
6,6-Dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 44190463
3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 19616647
4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 28358792
4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde
CID 28808664
3-(Trifluoromethyl)-4,5-dihydro-1H-indazol-6(7H)-one
CID 72211323
3-Heptafluoropropyl-4,5,6,7-tetrahydro-1H-indazole
CID 10469455
1-(3,5-Dimethyl-1H-pyrazol-4-yl)acetone
CID 16762491
3-(1,1,2,2-tetrafluoroethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031294
3-Difluoromethyl-6,6-dimethyl-1,5,6,7-tetrahydro-indazol-4-one
CID 44190349

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one?
The IUPAC name of 3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one (CID 57367068) is 3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one.
What is the SMILES notation for 3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one?
The canonical SMILES for 3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one is O=C1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of 3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one?
The InChIKey is AVBAYOAVSLNNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)7-5-3-4(14)1-2-6(5)12-13-7/h1-3H2,(H,12,13).
What are the key properties of 3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one?
3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one has a molecular weight of 204.15 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-5-one is sourced from PubChem (CID 57367068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).