6-phenyl-1H-indazole

C13H10N2 — CID 55264593

IUPAC6-phenyl-1H-indazole
SMILESc1ccc(-c2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-12-9-14-15-13(12)8-11/h1-9H,(H,14,15)
InChIKeyOPJICVPEFWXDDJ-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.23
Rot. Bonds1

About 6-phenyl-1H-indazole

6-phenyl-1H-indazole (PubChem CID 55264593) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 6-phenyl-1H-indazole.

Molecular Properties

Compound Name6-phenyl-1H-indazole
PubChem CID55264593
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name6-phenyl-1H-indazole
SMILESc1ccc(-c2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-12-9-14-15-13(12)8-11/h1-9H,(H,14,15)
InChIKeyOPJICVPEFWXDDJ-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1H-indazole?
The IUPAC name of 6-phenyl-1H-indazole (CID 55264593) is 6-phenyl-1H-indazole.
What is the SMILES notation for 6-phenyl-1H-indazole?
The canonical SMILES for 6-phenyl-1H-indazole is c1ccc(-c2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of 6-phenyl-1H-indazole?
The InChIKey is OPJICVPEFWXDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-12-9-14-15-13(12)8-11/h1-9H,(H,14,15).
What are the key properties of 6-phenyl-1H-indazole?
6-phenyl-1H-indazole has a molecular weight of 194.24 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1H-indazole is sourced from PubChem (CID 55264593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).