5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole

C16H15BrN2 — CID 67964826

IUPAC5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole
SMILESCc1ccc(Cn2cc3cc(Br)c(C)cc3n2)cc1
InChIInChI=1S/C16H15BrN2/c1-11-3-5-13(6-4-11)9-19-10-14-8-15(17)12(2)7-16(14)18-19/h3-8,10H,9H2,1-2H3
InChIKeyNLVHSLGBKIGYTD-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.46
Rot. Bonds2

About 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole

5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole (PubChem CID 67964826) has the molecular formula C16H15BrN2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole.

Molecular Properties

Compound Name5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole
PubChem CID67964826
Molecular FormulaC16H15BrN2
Molecular Weight315.21 g/mol
Exact Mass314.04
IUPAC Name5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole
SMILESCc1ccc(Cn2cc3cc(Br)c(C)cc3n2)cc1
InChIInChI=1S/C16H15BrN2/c1-11-3-5-13(6-4-11)9-19-10-14-8-15(17)12(2)7-16(14)18-19/h3-8,10H,9H2,1-2H3
InChIKeyNLVHSLGBKIGYTD-UHFFFAOYSA-N
XLogP4.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole?
The IUPAC name of 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole (CID 67964826) is 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole.
What is the SMILES notation for 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole?
The canonical SMILES for 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole is Cc1ccc(Cn2cc3cc(Br)c(C)cc3n2)cc1.
What is the InChIKey of 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole?
The InChIKey is NLVHSLGBKIGYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2/c1-11-3-5-13(6-4-11)9-19-10-14-8-15(17)12(2)7-16(14)18-19/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole?
5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole has a molecular weight of 315.21 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-[(4-methylphenyl)methyl]indazole is sourced from PubChem (CID 67964826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).