4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole

C9H7F3N2O2S — CID 156749509

IUPAC4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole
SMILESCc1ccc(S(=O)(=O)C(F)(F)F)c2[nH]ncc12
InChIInChI=1S/C9H7F3N2O2S/c1-5-2-3-7(8-6(5)4-13-14-8)17(15,16)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeyMLJZPXXVCVZTCB-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.16
Rot. Bonds1

About 4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole

4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole (PubChem CID 156749509) has the molecular formula C9H7F3N2O2S and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole.

Molecular Properties

Compound Name4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole
PubChem CID156749509
Molecular FormulaC9H7F3N2O2S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC Name4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole
SMILESCc1ccc(S(=O)(=O)C(F)(F)F)c2[nH]ncc12
InChIInChI=1S/C9H7F3N2O2S/c1-5-2-3-7(8-6(5)4-13-14-8)17(15,16)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeyMLJZPXXVCVZTCB-UHFFFAOYSA-N
XLogP2.16
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole?
The IUPAC name of 4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole (CID 156749509) is 4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole.
What is the SMILES notation for 4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole?
The canonical SMILES for 4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole is Cc1ccc(S(=O)(=O)C(F)(F)F)c2[nH]ncc12.
What is the InChIKey of 4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole?
The InChIKey is MLJZPXXVCVZTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2S/c1-5-2-3-7(8-6(5)4-13-14-8)17(15,16)9(10,11)12/h2-4H,1H3,(H,13,14).
What are the key properties of 4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole?
4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole has a molecular weight of 264.23 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole is sourced from PubChem (CID 156749509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).