1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide

C21H22BrN3O2 — CID 32655349

IUPAC1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1
InChIInChI=1S/C21H22BrN3O2/c1-4-27-19-11-5-16(6-12-19)14-24(3)21(26)20-13-23-25(15(20)2)18-9-7-17(22)8-10-18/h5-13H,4,14H2,1-3H3
InChIKeyJPZZONWUXJDLBF-UHFFFAOYSA-N
MW428.33 g/mol
LogP4.61
Rot. Bonds6

About 1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide (PubChem CID 32655349) has the molecular formula C21H22BrN3O2 and a molecular weight of 428.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
PubChem CID32655349
Molecular FormulaC21H22BrN3O2
Molecular Weight428.33 g/mol
Exact Mass427.09
IUPAC Name1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1
InChIInChI=1S/C21H22BrN3O2/c1-4-27-19-11-5-16(6-12-19)14-24(3)21(26)20-13-23-25(15(20)2)18-9-7-17(22)8-10-18/h5-13H,4,14H2,1-3H3
InChIKeyJPZZONWUXJDLBF-UHFFFAOYSA-N
XLogP4.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82086071
4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 55833445
N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39862153
N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119654418
ethyl 1-[4-[(4-chlorophenyl)methyl-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 38032998
ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 31972366
2-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]-ethylamino]acetic acid
CID 119206292
N-benzyl-1-(4-bromophenyl)-N-(cyanomethyl)-5-methylpyrazole-4-carboxamide
CID 55864684
1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide
CID 55658006
1-(4-bromophenyl)-N-butyl-N-(2-hydroxyethyl)-5-methylpyrazole-4-carboxamide
CID 78855646
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 78788525
5-chloro-N-[(4-ethoxyphenyl)methyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 27822859

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide (CID 32655349) is 1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide is CCOc1ccc(CN(C)C(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide?
The InChIKey is JPZZONWUXJDLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O2/c1-4-27-19-11-5-16(6-12-19)14-24(3)21(26)20-13-23-25(15(20)2)18-9-7-17(22)8-10-18/h5-13H,4,14H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide has a molecular weight of 428.33 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 32655349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).