5-methyl-3-phenyl-1H-indazole

C14H12N2 — CID 610412

IUPAC5-methyl-3-phenyl-1H-indazole
SMILESCc1ccc2[nH]nc(-c3ccccc3)c2c1
InChIInChI=1S/C14H12N2/c1-10-7-8-13-12(9-10)14(16-15-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKeyBKFJFOATAKURAK-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.54
Rot. Bonds1

About 5-methyl-3-phenyl-1H-indazole

5-methyl-3-phenyl-1H-indazole (PubChem CID 610412) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-methyl-3-phenyl-1H-indazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-1H-indazole
PubChem CID610412
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name5-methyl-3-phenyl-1H-indazole
SMILESCc1ccc2[nH]nc(-c3ccccc3)c2c1
InChIInChI=1S/C14H12N2/c1-10-7-8-13-12(9-10)14(16-15-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKeyBKFJFOATAKURAK-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-methyl-3-phenyl-1H-indazole?
The IUPAC name of 5-methyl-3-phenyl-1H-indazole (CID 610412) is 5-methyl-3-phenyl-1H-indazole.
What is the SMILES notation for 5-methyl-3-phenyl-1H-indazole?
The canonical SMILES for 5-methyl-3-phenyl-1H-indazole is Cc1ccc2[nH]nc(-c3ccccc3)c2c1.
What is the InChIKey of 5-methyl-3-phenyl-1H-indazole?
The InChIKey is BKFJFOATAKURAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-10-7-8-13-12(9-10)14(16-15-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16).
What are the key properties of 5-methyl-3-phenyl-1H-indazole?
5-methyl-3-phenyl-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-methyl-3-phenyl-1H-indazole is sourced from PubChem (CID 610412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).