3-benzyl-7-methyl-2H-indazole

C15H14N2 — CID 123435500

IUPAC3-benzyl-7-methyl-2H-indazole
SMILESCc1cccc2c(Cc3ccccc3)[nH]nc12
InChIInChI=1S/C15H14N2/c1-11-6-5-9-13-14(16-17-15(11)13)10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyCGGCMWGYYKYRHH-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.46
Rot. Bonds2

About 3-benzyl-7-methyl-2H-indazole

3-benzyl-7-methyl-2H-indazole (PubChem CID 123435500) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-benzyl-7-methyl-2H-indazole.

Molecular Properties

Compound Name3-benzyl-7-methyl-2H-indazole
PubChem CID123435500
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3-benzyl-7-methyl-2H-indazole
SMILESCc1cccc2c(Cc3ccccc3)[nH]nc12
InChIInChI=1S/C15H14N2/c1-11-6-5-9-13-14(16-17-15(11)13)10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyCGGCMWGYYKYRHH-UHFFFAOYSA-N
XLogP3.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-methyl-2H-indazole?
The IUPAC name of 3-benzyl-7-methyl-2H-indazole (CID 123435500) is 3-benzyl-7-methyl-2H-indazole.
What is the SMILES notation for 3-benzyl-7-methyl-2H-indazole?
The canonical SMILES for 3-benzyl-7-methyl-2H-indazole is Cc1cccc2c(Cc3ccccc3)[nH]nc12.
What is the InChIKey of 3-benzyl-7-methyl-2H-indazole?
The InChIKey is CGGCMWGYYKYRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-6-5-9-13-14(16-17-15(11)13)10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 3-benzyl-7-methyl-2H-indazole?
3-benzyl-7-methyl-2H-indazole has a molecular weight of 222.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-methyl-2H-indazole is sourced from PubChem (CID 123435500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).