5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane

C17H19BrN2O — CID 159556054

IUPAC5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane
SMILESC.COc1cc2n[nH]c(Cc3cccc(C)c3)c2cc1Br
InChIInChI=1S/C16H15BrN2O.CH4/c1-10-4-3-5-11(6-10)7-14-12-8-13(17)16(20-2)9-15(12)19-18-14;/h3-6,8-9H,7H2,1-2H3,(H,18,19);1H4
InChIKeyMFZTTWNRDQBKAY-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.87
Rot. Bonds3

About 5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane

5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane (PubChem CID 159556054) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane.

Molecular Properties

Compound Name5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane
PubChem CID159556054
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane
SMILESC.COc1cc2n[nH]c(Cc3cccc(C)c3)c2cc1Br
InChIInChI=1S/C16H15BrN2O.CH4/c1-10-4-3-5-11(6-10)7-14-12-8-13(17)16(20-2)9-15(12)19-18-14;/h3-6,8-9H,7H2,1-2H3,(H,18,19);1H4
InChIKeyMFZTTWNRDQBKAY-UHFFFAOYSA-N
XLogP4.87
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23134564
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CID 59831760
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CID 46888077
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CID 44204003
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CID 11174579
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane?
The IUPAC name of 5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane (CID 159556054) is 5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane.
What is the SMILES notation for 5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane?
The canonical SMILES for 5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane is C.COc1cc2n[nH]c(Cc3cccc(C)c3)c2cc1Br.
What is the InChIKey of 5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane?
The InChIKey is MFZTTWNRDQBKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O.CH4/c1-10-4-3-5-11(6-10)7-14-12-8-13(17)16(20-2)9-15(12)19-18-14;/h3-6,8-9H,7H2,1-2H3,(H,18,19);1H4.
What are the key properties of 5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane?
5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane has a molecular weight of 347.26 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane is sourced from PubChem (CID 159556054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).