N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide

C19H26BrN3O3 — CID 19460295

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide
SMILESCCOc1ccc(CC(=O)N(C)Cc2c(Br)cnn2CC)cc1OCC
InChIInChI=1S/C19H26BrN3O3/c1-5-23-16(15(20)12-21-23)13-22(4)19(24)11-14-8-9-17(25-6-2)18(10-14)26-7-3/h8-10,12H,5-7,11,13H2,1-4H3
InChIKeyISFKAGDZDRFWNW-UHFFFAOYSA-N
MW424.34 g/mol
LogP3.66
Rot. Bonds9

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide (PubChem CID 19460295) has the molecular formula C19H26BrN3O3 and a molecular weight of 424.34 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide
PubChem CID19460295
Molecular FormulaC19H26BrN3O3
Molecular Weight424.34 g/mol
Exact Mass423.12
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide
SMILESCCOc1ccc(CC(=O)N(C)Cc2c(Br)cnn2CC)cc1OCC
InChIInChI=1S/C19H26BrN3O3/c1-5-23-16(15(20)12-21-23)13-22(4)19(24)11-14-8-9-17(25-6-2)18(10-14)26-7-3/h8-10,12H,5-7,11,13H2,1-4H3
InChIKeyISFKAGDZDRFWNW-UHFFFAOYSA-N
XLogP3.66
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 19460413
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide
CID 19460410
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methylbenzamide
CID 19460385
4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide
CID 19476759
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2-bromophenoxy)methyl]-N-methylbenzamide
CID 19460297
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278699
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N-methylbenzamide
CID 19460406
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,2,4-trimethylbenzamide
CID 19460411
ethyl 3-[(4-bromo-1-ethylpyrazol-5-yl)methyl-methylcarbamoyl]-1-methylpyrazole-5-carboxylate
CID 19278166
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19460306
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2,3-dichlorophenoxy)methyl]-N-methylbenzamide
CID 19460398
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 39891647

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide (CID 19460295) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide is CCOc1ccc(CC(=O)N(C)Cc2c(Br)cnn2CC)cc1OCC.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide?
The InChIKey is ISFKAGDZDRFWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O3/c1-5-23-16(15(20)12-21-23)13-22(4)19(24)11-14-8-9-17(25-6-2)18(10-14)26-7-3/h8-10,12H,5-7,11,13H2,1-4H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide has a molecular weight of 424.34 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3,4-diethoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 19460295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).