2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole

C18H17F3N2 — CID 146163092

IUPAC2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole
SMILESCc1cccc(-n2nc3c(C)c(C)ccc3c2C(F)(F)F)c1C
InChIInChI=1S/C18H17F3N2/c1-10-6-5-7-15(12(10)3)23-17(18(19,20)21)14-9-8-11(2)13(4)16(14)22-23/h5-9H,1-4H3
InChIKeyNWASYMVQTLRPOU-UHFFFAOYSA-N
MW318.34 g/mol
LogP5.28
Rot. Bonds1

About 2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole

2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole (PubChem CID 146163092) has the molecular formula C18H17F3N2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole
PubChem CID146163092
Molecular FormulaC18H17F3N2
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole
SMILESCc1cccc(-n2nc3c(C)c(C)ccc3c2C(F)(F)F)c1C
InChIInChI=1S/C18H17F3N2/c1-10-6-5-7-15(12(10)3)23-17(18(19,20)21)14-9-8-11(2)13(4)16(14)22-23/h5-9H,1-4H3
InChIKeyNWASYMVQTLRPOU-UHFFFAOYSA-N
XLogP5.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.34
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole?
The IUPAC name of 2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole (CID 146163092) is 2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole?
The canonical SMILES for 2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole is Cc1cccc(-n2nc3c(C)c(C)ccc3c2C(F)(F)F)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole?
The InChIKey is NWASYMVQTLRPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2/c1-10-6-5-7-15(12(10)3)23-17(18(19,20)21)14-9-8-11(2)13(4)16(14)22-23/h5-9H,1-4H3.
What are the key properties of 2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole?
2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole has a molecular weight of 318.34 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-6,7-dimethyl-3-(trifluoromethyl)indazole is sourced from PubChem (CID 146163092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).