1-[(3-bromo-4-methoxyphenyl)methyl]indazole

C15H13BrN2O — CID 62140207

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]indazole
SMILESCOc1ccc(Cn2ncc3ccccc32)cc1Br
InChIInChI=1S/C15H13BrN2O/c1-19-15-7-6-11(8-13(15)16)10-18-14-5-3-2-4-12(14)9-17-18/h2-9H,10H2,1H3
InChIKeyIHTFCKQEHXIHSP-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.86
Rot. Bonds3

About 1-[(3-bromo-4-methoxyphenyl)methyl]indazole

1-[(3-bromo-4-methoxyphenyl)methyl]indazole (PubChem CID 62140207) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]indazole.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]indazole
PubChem CID62140207
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]indazole
SMILESCOc1ccc(Cn2ncc3ccccc32)cc1Br
InChIInChI=1S/C15H13BrN2O/c1-19-15-7-6-11(8-13(15)16)10-18-14-5-3-2-4-12(14)9-17-18/h2-9H,10H2,1H3
InChIKeyIHTFCKQEHXIHSP-UHFFFAOYSA-N
XLogP3.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(indazol-1-ylmethyl)-2-methoxybenzonitrile
CID 65344079
4-(indazol-1-ylmethyl)-2-methoxybenzonitrile
CID 106788410
2-[(3-bromo-4-methoxyphenyl)methyl]-5-iodopyridazin-3-one
CID 114553704
1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 102772080
1-benzyl-5,6-dimethoxyindazole
CID 83414174
5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine
CID 103098693
1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one
CID 9353521
1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole
CID 82695018
1-benzyl-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine
CID 1067931
1-[(3-bromo-4-methoxyphenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784664
1-[(3-bromo-4-methoxyphenyl)methyl]-4-methoxyindole
CID 83165932
1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine
CID 82703238

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]indazole?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]indazole (CID 62140207) is 1-[(3-bromo-4-methoxyphenyl)methyl]indazole.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]indazole?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]indazole is COc1ccc(Cn2ncc3ccccc32)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]indazole?
The InChIKey is IHTFCKQEHXIHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-19-15-7-6-11(8-13(15)16)10-18-14-5-3-2-4-12(14)9-17-18/h2-9H,10H2,1H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]indazole?
1-[(3-bromo-4-methoxyphenyl)methyl]indazole has a molecular weight of 317.19 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]indazole is sourced from PubChem (CID 62140207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).