3-benzyl-2H-indazole

C14H12N2 — CID 3139604

IUPAC3-benzyl-2H-indazole
SMILESc1ccc(Cc2[nH]nc3ccccc23)cc1
InChIInChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13(12)15-16-14/h1-9H,10H2,(H,15,16)
InChIKeyXSFVAQRSZSENGO-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.15
Rot. Bonds2

About 3-benzyl-2H-indazole

3-benzyl-2H-indazole (PubChem CID 3139604) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-benzyl-2H-indazole.

Molecular Properties

Compound Name3-benzyl-2H-indazole
PubChem CID3139604
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name3-benzyl-2H-indazole
SMILESc1ccc(Cc2[nH]nc3ccccc23)cc1
InChIInChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13(12)15-16-14/h1-9H,10H2,(H,15,16)
InChIKeyXSFVAQRSZSENGO-UHFFFAOYSA-N
XLogP3.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-benzyl-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-benzyl-2H-indazole?
The IUPAC name of 3-benzyl-2H-indazole (CID 3139604) is 3-benzyl-2H-indazole.
What is the SMILES notation for 3-benzyl-2H-indazole?
The canonical SMILES for 3-benzyl-2H-indazole is c1ccc(Cc2[nH]nc3ccccc23)cc1.
What is the InChIKey of 3-benzyl-2H-indazole?
The InChIKey is XSFVAQRSZSENGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13(12)15-16-14/h1-9H,10H2,(H,15,16).
What are the key properties of 3-benzyl-2H-indazole?
3-benzyl-2H-indazole has a molecular weight of 208.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2H-indazole is sourced from PubChem (CID 3139604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).