3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole

C15H9F3N2O2 — CID 155410751

IUPAC3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole
SMILESFC(F)(F)c1ccc2c(-c3ccc4c(c3)OCO4)n[nH]c2c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)9-2-3-10-11(6-9)19-20-14(10)8-1-4-12-13(5-8)22-7-21-12/h1-6H,7H2,(H,19,20)
InChIKeyNOBRRCRQKSVTJL-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.98
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole

3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole (PubChem CID 155410751) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole
PubChem CID155410751
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole
SMILESFC(F)(F)c1ccc2c(-c3ccc4c(c3)OCO4)n[nH]c2c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)9-2-3-10-11(6-9)19-20-14(10)8-1-4-12-13(5-8)22-7-21-12/h1-6H,7H2,(H,19,20)
InChIKeyNOBRRCRQKSVTJL-UHFFFAOYSA-N
XLogP3.98
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Emrusolmin
CID 44608289
4-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
CID 135839302
Sbb027123
CID 1477766
3-(4-methoxyphenyl)-1H-indazole
CID 9855970
2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol
CID 135839326
5-(1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 11302666
3-(2H-1,3-Benzodioxol-5-yl)-5-(4-nitrophenyl)-1H-pyrazole
CID 46887990
3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 2823341
3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 2823345
3-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]aniline
CID 89930955
3-(1,3-benzodioxol-5-yl)-5-(2H-tetrazol-5-yl)-1H-indazole
CID 9995301
6-Amino-3-(1,3-benzodioxol-5-yl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3139854

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole (CID 155410751) is 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole is FC(F)(F)c1ccc2c(-c3ccc4c(c3)OCO4)n[nH]c2c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole?
The InChIKey is NOBRRCRQKSVTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)9-2-3-10-11(6-9)19-20-14(10)8-1-4-12-13(5-8)22-7-21-12/h1-6H,7H2,(H,19,20).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole?
3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole has a molecular weight of 306.24 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 155410751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).