N,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine

C22H19Br2N3 — CID 59514083

IUPACN,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine
SMILESCn1ncc2cc(N(Cc3ccc(Br)cc3)Cc3ccc(Br)cc3)ccc21
InChIInChI=1S/C22H19Br2N3/c1-26-22-11-10-21(12-18(22)13-25-26)27(14-16-2-6-19(23)7-3-16)15-17-4-8-20(24)9-5-17/h2-13H,14-15H2,1H3
InChIKeyLKHJLZPKUSQRAP-UHFFFAOYSA-N
MW485.22 g/mol
LogP6.31
Rot. Bonds5

About N,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine

N,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine (PubChem CID 59514083) has the molecular formula C22H19Br2N3 and a molecular weight of 485.22 g/mol. Its IUPAC name is N,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine.

Molecular Properties

Compound NameN,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine
PubChem CID59514083
Molecular FormulaC22H19Br2N3
Molecular Weight485.22 g/mol
Exact Mass482.99
IUPAC NameN,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine
SMILESCn1ncc2cc(N(Cc3ccc(Br)cc3)Cc3ccc(Br)cc3)ccc21
InChIInChI=1S/C22H19Br2N3/c1-26-22-11-10-21(12-18(22)13-25-26)27(14-16-2-6-19(23)7-3-16)15-17-4-8-20(24)9-5-17/h2-13H,14-15H2,1H3
InChIKeyLKHJLZPKUSQRAP-UHFFFAOYSA-N
XLogP6.31
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.22
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine?
The IUPAC name of N,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine (CID 59514083) is N,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine.
What is the SMILES notation for N,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine?
The canonical SMILES for N,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine is Cn1ncc2cc(N(Cc3ccc(Br)cc3)Cc3ccc(Br)cc3)ccc21.
What is the InChIKey of N,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine?
The InChIKey is LKHJLZPKUSQRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br2N3/c1-26-22-11-10-21(12-18(22)13-25-26)27(14-16-2-6-19(23)7-3-16)15-17-4-8-20(24)9-5-17/h2-13H,14-15H2,1H3.
What are the key properties of N,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine?
N,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine has a molecular weight of 485.22 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-bromophenyl)methyl]-1-methylindazol-5-amine is sourced from PubChem (CID 59514083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).