N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide

C21H20BrN3O2 — CID 35322733

IUPACN-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1Br
InChIInChI=1S/C21H20BrN3O2/c1-14-20(22)15(2)25(24-14)13-12-19(26)23-18-11-7-6-10-17(18)21(27)16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,23,26)
InChIKeyQLYAEDXOYUJYDO-UHFFFAOYSA-N
MW426.31 g/mol
LogP4.52
Rot. Bonds6

About N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide

N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 35322733) has the molecular formula C21H20BrN3O2 and a molecular weight of 426.31 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID35322733
Molecular FormulaC21H20BrN3O2
Molecular Weight426.31 g/mol
Exact Mass425.07
IUPAC NameN-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1Br
InChIInChI=1S/C21H20BrN3O2/c1-14-20(22)15(2)25(24-14)13-12-19(26)23-18-11-7-6-10-17(18)21(27)16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,23,26)
InChIKeyQLYAEDXOYUJYDO-UHFFFAOYSA-N
XLogP4.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 19559927
N-(3-amino-2-methylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62129891
N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525433
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide
CID 19559871
N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19559886
N-(5-amino-2-fluorophenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62128370
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19550123
2-[[2-(2-benzoylanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771914
N-(2-benzoylphenyl)-3-chloropropanamide
CID 25323415
ethyl 5-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 19559912
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 19561632
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35322613

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide (CID 35322733) is N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1Br.
What is the InChIKey of N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is QLYAEDXOYUJYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O2/c1-14-20(22)15(2)25(24-14)13-12-19(26)23-18-11-7-6-10-17(18)21(27)16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide?
N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 426.31 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 35322733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).