7-tert-butyl-2,3-dihydro-1H-indazole

C11H16N2 — CID 139452459

IUPAC7-tert-butyl-2,3-dihydro-1H-indazole
SMILESCC(C)(C)c1cccc2c1NNC2
InChIInChI=1S/C11H16N2/c1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h4-6,12-13H,7H2,1-3H3
InChIKeyIEHWLBVUGNXRGN-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.41
Rot. Bonds

About 7-tert-butyl-2,3-dihydro-1H-indazole

7-tert-butyl-2,3-dihydro-1H-indazole (PubChem CID 139452459) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 7-tert-butyl-2,3-dihydro-1H-indazole.

Molecular Properties

Compound Name7-tert-butyl-2,3-dihydro-1H-indazole
PubChem CID139452459
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name7-tert-butyl-2,3-dihydro-1H-indazole
SMILESCC(C)(C)c1cccc2c1NNC2
InChIInChI=1S/C11H16N2/c1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h4-6,12-13H,7H2,1-3H3
InChIKeyIEHWLBVUGNXRGN-UHFFFAOYSA-N
XLogP2.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-tert-butyl-2,3-dihydro-1H-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 7-tert-butyl-2,3-dihydro-1H-indazole?
The IUPAC name of 7-tert-butyl-2,3-dihydro-1H-indazole (CID 139452459) is 7-tert-butyl-2,3-dihydro-1H-indazole.
What is the SMILES notation for 7-tert-butyl-2,3-dihydro-1H-indazole?
The canonical SMILES for 7-tert-butyl-2,3-dihydro-1H-indazole is CC(C)(C)c1cccc2c1NNC2.
What is the InChIKey of 7-tert-butyl-2,3-dihydro-1H-indazole?
The InChIKey is IEHWLBVUGNXRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h4-6,12-13H,7H2,1-3H3.
What are the key properties of 7-tert-butyl-2,3-dihydro-1H-indazole?
7-tert-butyl-2,3-dihydro-1H-indazole has a molecular weight of 176.26 g/mol, XLogP of 2.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2,3-dihydro-1H-indazole is sourced from PubChem (CID 139452459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).