1-methyl-3-(trifluoromethyl)indazole

C9H7F3N2 — CID 83446574

IUPAC1-methyl-3-(trifluoromethyl)indazole
SMILESCn1nc(C(F)(F)F)c2ccccc21
InChIInChI=1S/C9H7F3N2/c1-14-7-5-3-2-4-6(7)8(13-14)9(10,11)12/h2-5H,1H3
InChIKeyHXLODFDUNCWFIP-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.59
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)indazole

1-methyl-3-(trifluoromethyl)indazole (PubChem CID 83446574) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)indazole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)indazole
PubChem CID83446574
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name1-methyl-3-(trifluoromethyl)indazole
SMILESCn1nc(C(F)(F)F)c2ccccc21
InChIInChI=1S/C9H7F3N2/c1-14-7-5-3-2-4-6(7)8(13-14)9(10,11)12/h2-5H,1H3
InChIKeyHXLODFDUNCWFIP-UHFFFAOYSA-N
XLogP2.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-(trifluoromethyl)indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)indazole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)indazole (CID 83446574) is 1-methyl-3-(trifluoromethyl)indazole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)indazole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)indazole is Cn1nc(C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)indazole?
The InChIKey is HXLODFDUNCWFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c1-14-7-5-3-2-4-6(7)8(13-14)9(10,11)12/h2-5H,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)indazole?
1-methyl-3-(trifluoromethyl)indazole has a molecular weight of 200.16 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)indazole is sourced from PubChem (CID 83446574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).