1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C9H11F3N2 — CID 12031296

IUPAC1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C9H11F3N2/c1-14-7-5-3-2-4-6(7)8(13-14)9(10,11)12/h2-5H2,1H3
InChIKeyIRLJDHZZLLJTBR-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.32
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 12031296) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID12031296
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C9H11F3N2/c1-14-7-5-3-2-4-6(7)8(13-14)9(10,11)12/h2-5H2,1H3
InChIKeyIRLJDHZZLLJTBR-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole 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)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 12031296) is 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is Cn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is IRLJDHZZLLJTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-14-7-5-3-2-4-6(7)8(13-14)9(10,11)12/h2-5H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 204.19 g/mol, XLogP of 2.32, 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)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 12031296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).