3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide

C23H20BrN3O2 — CID 135581796

IUPAC3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cc2c(Cc3ccccc3)[nH]nc2cc1O
InChIInChI=1S/C23H20BrN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)
InChIKeyWYONIVZQGXVCLM-UHFFFAOYSA-N
MW450.34 g/mol
LogP4.89
Rot. Bonds5

About 3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide

3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide (PubChem CID 135581796) has the molecular formula C23H20BrN3O2 and a molecular weight of 450.34 g/mol. Its IUPAC name is 3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
PubChem CID135581796
Molecular FormulaC23H20BrN3O2
Molecular Weight450.34 g/mol
Exact Mass449.07
IUPAC Name3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cc2c(Cc3ccccc3)[nH]nc2cc1O
InChIInChI=1S/C23H20BrN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)
InChIKeyWYONIVZQGXVCLM-UHFFFAOYSA-N
XLogP4.89
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
CID 135693464
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
CID 135582022
3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide
CID 135581916
N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide
CID 25465829
N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 42987430
3-benzyl-5-bromo-2H-indazole
CID 66915538
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333
N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide
CID 143307644
N-[(4-bromophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 18111460
5-bromo-2-hydroxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 43016464
N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62176252

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide?
The IUPAC name of 3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide (CID 135581796) is 3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide?
The canonical SMILES for 3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)c1cc2c(Cc3ccccc3)[nH]nc2cc1O.
What is the InChIKey of 3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide?
The InChIKey is WYONIVZQGXVCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26).
What are the key properties of 3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide?
3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide has a molecular weight of 450.34 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 135581796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).