3-(1H-indol-2-yl)-5-methyl-1H-indazole

C16H13N3 — CID 135537103

IUPAC3-(1H-indol-2-yl)-5-methyl-1H-indazole
SMILESCc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C16H13N3/c1-10-6-7-14-12(8-10)16(19-18-14)15-9-11-4-2-3-5-13(11)17-15/h2-9,17H,1H3,(H,18,19)
InChIKeyZNURMGKAMGVZCB-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.02
Rot. Bonds1

About 3-(1H-indol-2-yl)-5-methyl-1H-indazole

3-(1H-indol-2-yl)-5-methyl-1H-indazole (PubChem CID 135537103) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-5-methyl-1H-indazole.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-5-methyl-1H-indazole
PubChem CID135537103
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name3-(1H-indol-2-yl)-5-methyl-1H-indazole
SMILESCc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C16H13N3/c1-10-6-7-14-12(8-10)16(19-18-14)15-9-11-4-2-3-5-13(11)17-15/h2-9,17H,1H3,(H,18,19)
InChIKeyZNURMGKAMGVZCB-UHFFFAOYSA-N
XLogP4.02
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-5-methyl-1H-indazole?
The IUPAC name of 3-(1H-indol-2-yl)-5-methyl-1H-indazole (CID 135537103) is 3-(1H-indol-2-yl)-5-methyl-1H-indazole.
What is the SMILES notation for 3-(1H-indol-2-yl)-5-methyl-1H-indazole?
The canonical SMILES for 3-(1H-indol-2-yl)-5-methyl-1H-indazole is Cc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1.
What is the InChIKey of 3-(1H-indol-2-yl)-5-methyl-1H-indazole?
The InChIKey is ZNURMGKAMGVZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-10-6-7-14-12(8-10)16(19-18-14)15-9-11-4-2-3-5-13(11)17-15/h2-9,17H,1H3,(H,18,19).
What are the key properties of 3-(1H-indol-2-yl)-5-methyl-1H-indazole?
3-(1H-indol-2-yl)-5-methyl-1H-indazole has a molecular weight of 247.30 g/mol, XLogP of 4.02, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-5-methyl-1H-indazole is sourced from PubChem (CID 135537103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).