3-tert-butyl-4-fluoro-2H-indazole

C11H13FN2 — CID 58088129

IUPAC3-tert-butyl-4-fluoro-2H-indazole
SMILESCC(C)(C)c1[nH]nc2cccc(F)c12
InChIInChI=1S/C11H13FN2/c1-11(2,3)10-9-7(12)5-4-6-8(9)13-14-10/h4-6H,1-3H3,(H,13,14)
InChIKeySZHVDEHDHMIUQZ-UHFFFAOYSA-N
MW192.24 g/mol
LogP3.00
Rot. Bonds

About 3-tert-butyl-4-fluoro-2H-indazole

3-tert-butyl-4-fluoro-2H-indazole (PubChem CID 58088129) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-tert-butyl-4-fluoro-2H-indazole.

Molecular Properties

Compound Name3-tert-butyl-4-fluoro-2H-indazole
PubChem CID58088129
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name3-tert-butyl-4-fluoro-2H-indazole
SMILESCC(C)(C)c1[nH]nc2cccc(F)c12
InChIInChI=1S/C11H13FN2/c1-11(2,3)10-9-7(12)5-4-6-8(9)13-14-10/h4-6H,1-3H3,(H,13,14)
InChIKeySZHVDEHDHMIUQZ-UHFFFAOYSA-N
XLogP3.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-4-fluoro-2H-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 3-tert-butyl-4-fluoro-2H-indazole?
The IUPAC name of 3-tert-butyl-4-fluoro-2H-indazole (CID 58088129) is 3-tert-butyl-4-fluoro-2H-indazole.
What is the SMILES notation for 3-tert-butyl-4-fluoro-2H-indazole?
The canonical SMILES for 3-tert-butyl-4-fluoro-2H-indazole is CC(C)(C)c1[nH]nc2cccc(F)c12.
What is the InChIKey of 3-tert-butyl-4-fluoro-2H-indazole?
The InChIKey is SZHVDEHDHMIUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-11(2,3)10-9-7(12)5-4-6-8(9)13-14-10/h4-6H,1-3H3,(H,13,14).
What are the key properties of 3-tert-butyl-4-fluoro-2H-indazole?
3-tert-butyl-4-fluoro-2H-indazole has a molecular weight of 192.24 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-fluoro-2H-indazole is sourced from PubChem (CID 58088129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).