N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide

C20H19Br2N3O2 — CID 19458380

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C20H19Br2N3O2/c1-24(12-18-17(22)11-23-25(18)2)20(26)15-9-7-14(8-10-15)13-27-19-6-4-3-5-16(19)21/h3-11H,12-13H2,1-2H3
InChIKeyLWEYUAGSEOAVSK-UHFFFAOYSA-N
MW493.20 g/mol
LogP4.80
Rot. Bonds6

About N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide (PubChem CID 19458380) has the molecular formula C20H19Br2N3O2 and a molecular weight of 493.20 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide
PubChem CID19458380
Molecular FormulaC20H19Br2N3O2
Molecular Weight493.20 g/mol
Exact Mass490.98
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C20H19Br2N3O2/c1-24(12-18-17(22)11-23-25(18)2)20(26)15-9-7-14(8-10-15)13-27-19-6-4-3-5-16(19)21/h3-11H,12-13H2,1-2H3
InChIKeyLWEYUAGSEOAVSK-UHFFFAOYSA-N
XLogP4.80
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.20
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methylbenzamide
CID 19458527
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2-bromophenoxy)methyl]-N-methylbenzamide
CID 19460297
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(2,4-difluorophenoxy)methyl]-N-methylbenzamide
CID 19458530
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methylbenzamide
CID 19460385
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-4-nitrobenzamide
CID 19458602
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N-methylbenzamide
CID 19460406
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19405997
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2,5-dimethylphenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19471731
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide
CID 19460410
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19458540
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2,3-dichlorophenoxy)methyl]-N-methylbenzamide
CID 19460398
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-cyano-N-methylbenzamide
CID 19458560

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide (CID 19458380) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide is CN(Cc1c(Br)cnn1C)C(=O)c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide?
The InChIKey is LWEYUAGSEOAVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br2N3O2/c1-24(12-18-17(22)11-23-25(18)2)20(26)15-9-7-14(8-10-15)13-27-19-6-4-3-5-16(19)21/h3-11H,12-13H2,1-2H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide has a molecular weight of 493.20 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2-bromophenoxy)methyl]-N-methylbenzamide is sourced from PubChem (CID 19458380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).