2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole

C19H19F3N2 — CID 11588007

IUPAC2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole
SMILESCC(C)Cc1c2cccc(C(F)(F)F)c2nn1Cc1ccccc1
InChIInChI=1S/C19H19F3N2/c1-13(2)11-17-15-9-6-10-16(19(20,21)22)18(15)23-24(17)12-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyQGRSNGMKFAEVTJ-UHFFFAOYSA-N
MW332.37 g/mol
LogP5.30
Rot. Bonds4

About 2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole

2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole (PubChem CID 11588007) has the molecular formula C19H19F3N2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole
PubChem CID11588007
Molecular FormulaC19H19F3N2
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole
SMILESCC(C)Cc1c2cccc(C(F)(F)F)c2nn1Cc1ccccc1
InChIInChI=1S/C19H19F3N2/c1-13(2)11-17-15-9-6-10-16(19(20,21)22)18(15)23-24(17)12-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyQGRSNGMKFAEVTJ-UHFFFAOYSA-N
XLogP5.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole?
The IUPAC name of 2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole (CID 11588007) is 2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole.
What is the SMILES notation for 2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole?
The canonical SMILES for 2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole is CC(C)Cc1c2cccc(C(F)(F)F)c2nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole?
The InChIKey is QGRSNGMKFAEVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2/c1-13(2)11-17-15-9-6-10-16(19(20,21)22)18(15)23-24(17)12-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole?
2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole has a molecular weight of 332.37 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2-methylpropyl)-7-(trifluoromethyl)indazole is sourced from PubChem (CID 11588007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).