4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole

C17H15F3N4 — CID 71735705

IUPAC4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole
SMILESCN1Cc2ccc(-c3cc(C(F)(F)F)cc4[nH]ncc34)cc2N1C
InChIInChI=1S/C17H15F3N4/c1-23-9-11-4-3-10(5-16(11)24(23)2)13-6-12(17(18,19)20)7-15-14(13)8-21-22-15/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeyOIQRHHJSXAKJDO-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.05
Rot. Bonds1

About 4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole

4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole (PubChem CID 71735705) has the molecular formula C17H15F3N4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole
PubChem CID71735705
Molecular FormulaC17H15F3N4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole
SMILESCN1Cc2ccc(-c3cc(C(F)(F)F)cc4[nH]ncc34)cc2N1C
InChIInChI=1S/C17H15F3N4/c1-23-9-11-4-3-10(5-16(11)24(23)2)13-6-12(17(18,19)20)7-15-14(13)8-21-22-15/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeyOIQRHHJSXAKJDO-UHFFFAOYSA-N
XLogP4.05
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole?
The IUPAC name of 4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole (CID 71735705) is 4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole is CN1Cc2ccc(-c3cc(C(F)(F)F)cc4[nH]ncc34)cc2N1C.
What is the InChIKey of 4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole?
The InChIKey is OIQRHHJSXAKJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4/c1-23-9-11-4-3-10(5-16(11)24(23)2)13-6-12(17(18,19)20)7-15-14(13)8-21-22-15/h3-8H,9H2,1-2H3,(H,21,22).
What are the key properties of 4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole?
4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole has a molecular weight of 332.33 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethyl-3H-indazol-6-yl)-6-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 71735705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).