N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide

C20H20BrN3O2 — CID 55776337

IUPACN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccnn2Cc2cccc(Br)c2)c1
InChIInChI=1S/C20H20BrN3O2/c1-14-6-7-15(2)18(10-14)26-13-20(25)23-19-8-9-22-24(19)12-16-4-3-5-17(21)11-16/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyWDMITYCMBXQPSS-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.33
Rot. Bonds6

About N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide

N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 55776337) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID55776337
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccnn2Cc2cccc(Br)c2)c1
InChIInChI=1S/C20H20BrN3O2/c1-14-6-7-15(2)18(10-14)26-13-20(25)23-19-8-9-22-24(19)12-16-4-3-5-17(21)11-16/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyWDMITYCMBXQPSS-UHFFFAOYSA-N
XLogP4.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 47047247
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776
methyl 3-bromo-4-[2-[[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethoxy]benzoate
CID 39036804
2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 139016394
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 17464978
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119732827
ethyl 5-[[2-[(3-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55776529
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 112822089
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide (CID 55776337) is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)Nc2ccnn2Cc2cccc(Br)c2)c1.
What is the InChIKey of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is WDMITYCMBXQPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-14-6-7-15(2)18(10-14)26-13-20(25)23-19-8-9-22-24(19)12-16-4-3-5-17(21)11-16/h3-11H,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide?
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 414.30 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 55776337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).