N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine

C15H14BrN3O — CID 23931408

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine
SMILESCOc1ccc(Br)cc1CNc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H14BrN3O/c1-20-15-5-2-12(16)6-11(15)8-17-13-3-4-14-10(7-13)9-18-19-14/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyMNMYWQBTTNZWLT-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.95
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine (PubChem CID 23931408) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine
PubChem CID23931408
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine
SMILESCOc1ccc(Br)cc1CNc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H14BrN3O/c1-20-15-5-2-12(16)6-11(15)8-17-13-3-4-14-10(7-13)9-18-19-14/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyMNMYWQBTTNZWLT-UHFFFAOYSA-N
XLogP3.95
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-2-[(1H-indazol-5-ylimino)-methyl]-phenol
CID 795026
2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol
CID 134148837
N-[1-(2-Methoxybenzyl)piperidin-3-yl]-1H-indazol-5-amine
CID 57446059
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine
CID 177378133
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(4-fluorophenyl)-1H-indazol-5-amine
CID 177378136
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine
CID 177378137
N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine
CID 783775
Cambridge id 5452187
CID 2846239
N-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine
CID 3800069
N-[(2-benzyloxyphenyl)methyl]-1H-indazol-5-amine
CID 121255971
Cambridge id 5455881
CID 784044
5-Bromo-1-(4-methoxybenzyl)-1H-indazole
CID 44240527

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine (CID 23931408) is N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine is COc1ccc(Br)cc1CNc1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine?
The InChIKey is MNMYWQBTTNZWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-20-15-5-2-12(16)6-11(15)8-17-13-3-4-14-10(7-13)9-18-19-14/h2-7,9,17H,8H2,1H3,(H,18,19).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine has a molecular weight of 332.20 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 23931408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).