1-methyl-5-(3,3,3-trifluoropropyl)indazole

C11H11F3N2 — CID 138984664

IUPAC1-methyl-5-(3,3,3-trifluoropropyl)indazole
SMILESCn1ncc2cc(CCC(F)(F)F)ccc21
InChIInChI=1S/C11H11F3N2/c1-16-10-3-2-8(4-5-11(12,13)14)6-9(10)7-15-16/h2-3,6-7H,4-5H2,1H3
InChIKeyUFFFFNWGMBOJJX-UHFFFAOYSA-N
MW228.22 g/mol
LogP3.07
Rot. Bonds2

About 1-methyl-5-(3,3,3-trifluoropropyl)indazole

1-methyl-5-(3,3,3-trifluoropropyl)indazole (PubChem CID 138984664) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-methyl-5-(3,3,3-trifluoropropyl)indazole.

Molecular Properties

Compound Name1-methyl-5-(3,3,3-trifluoropropyl)indazole
PubChem CID138984664
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name1-methyl-5-(3,3,3-trifluoropropyl)indazole
SMILESCn1ncc2cc(CCC(F)(F)F)ccc21
InChIInChI=1S/C11H11F3N2/c1-16-10-3-2-8(4-5-11(12,13)14)6-9(10)7-15-16/h2-3,6-7H,4-5H2,1H3
InChIKeyUFFFFNWGMBOJJX-UHFFFAOYSA-N
XLogP3.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-5-(3,3,3-trifluoropropyl)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-5-(3,3,3-trifluoropropyl)indazole?
The IUPAC name of 1-methyl-5-(3,3,3-trifluoropropyl)indazole (CID 138984664) is 1-methyl-5-(3,3,3-trifluoropropyl)indazole.
What is the SMILES notation for 1-methyl-5-(3,3,3-trifluoropropyl)indazole?
The canonical SMILES for 1-methyl-5-(3,3,3-trifluoropropyl)indazole is Cn1ncc2cc(CCC(F)(F)F)ccc21.
What is the InChIKey of 1-methyl-5-(3,3,3-trifluoropropyl)indazole?
The InChIKey is UFFFFNWGMBOJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-16-10-3-2-8(4-5-11(12,13)14)6-9(10)7-15-16/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 1-methyl-5-(3,3,3-trifluoropropyl)indazole?
1-methyl-5-(3,3,3-trifluoropropyl)indazole has a molecular weight of 228.22 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3,3,3-trifluoropropyl)indazole is sourced from PubChem (CID 138984664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).