5-(2-methylphenyl)-1H-indazole

C14H12N2 — CID 90645443

IUPAC5-(2-methylphenyl)-1H-indazole
SMILESCc1ccccc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H12N2/c1-10-4-2-3-5-13(10)11-6-7-14-12(8-11)9-15-16-14/h2-9H,1H3,(H,15,16)
InChIKeyKXZXNLHJKUDAQF-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.54
Rot. Bonds1

About 5-(2-methylphenyl)-1H-indazole

5-(2-methylphenyl)-1H-indazole (PubChem CID 90645443) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(2-methylphenyl)-1H-indazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-1H-indazole
PubChem CID90645443
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name5-(2-methylphenyl)-1H-indazole
SMILESCc1ccccc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H12N2/c1-10-4-2-3-5-13(10)11-6-7-14-12(8-11)9-15-16-14/h2-9H,1H3,(H,15,16)
InChIKeyKXZXNLHJKUDAQF-UHFFFAOYSA-N
XLogP3.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-1H-indazole?
The IUPAC name of 5-(2-methylphenyl)-1H-indazole (CID 90645443) is 5-(2-methylphenyl)-1H-indazole.
What is the SMILES notation for 5-(2-methylphenyl)-1H-indazole?
The canonical SMILES for 5-(2-methylphenyl)-1H-indazole is Cc1ccccc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(2-methylphenyl)-1H-indazole?
The InChIKey is KXZXNLHJKUDAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-10-4-2-3-5-13(10)11-6-7-14-12(8-11)9-15-16-14/h2-9H,1H3,(H,15,16).
What are the key properties of 5-(2-methylphenyl)-1H-indazole?
5-(2-methylphenyl)-1H-indazole has a molecular weight of 208.26 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-1H-indazole is sourced from PubChem (CID 90645443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).