5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C14H14BrF2N3O2 — CID 19393442

IUPAC5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cc(Br)ccc1OC(F)F
InChIInChI=1S/C14H14BrF2N3O2/c1-7-12(8(2)20(3)19-7)18-13(21)10-6-9(15)4-5-11(10)22-14(16)17/h4-6,14H,1-3H3,(H,18,21)
InChIKeyCZBAOAUEZAGIIS-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.65
Rot. Bonds4

About 5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 19393442) has the molecular formula C14H14BrF2N3O2 and a molecular weight of 374.19 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID19393442
Molecular FormulaC14H14BrF2N3O2
Molecular Weight374.19 g/mol
Exact Mass373.02
IUPAC Name5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cc(Br)ccc1OC(F)F
InChIInChI=1S/C14H14BrF2N3O2/c1-7-12(8(2)20(3)19-7)18-13(21)10-6-9(15)4-5-11(10)22-14(16)17/h4-6,14H,1-3H3,(H,18,21)
InChIKeyCZBAOAUEZAGIIS-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399689
5-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 59703438
5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393012
5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292362
4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336834
5-bromo-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19337211
5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide
CID 65307383
5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
CID 19283114
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19393571
5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide
CID 19333186
5-amino-2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 102705170
4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60698314

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 19393442) is 5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is Cc1nn(C)c(C)c1NC(=O)c1cc(Br)ccc1OC(F)F.
What is the InChIKey of 5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is CZBAOAUEZAGIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3O2/c1-7-12(8(2)20(3)19-7)18-13(21)10-6-9(15)4-5-11(10)22-14(16)17/h4-6,14H,1-3H3,(H,18,21).
What are the key properties of 5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 374.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 19393442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).