3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide

C18H19Br2N5O — CID 19296466

IUPAC3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide
SMILESCc1nn(Cc2cccc(C(=O)NCc3c(Br)cnn3C)c2)c(C)c1Br
InChIInChI=1S/C18H19Br2N5O/c1-11-17(20)12(2)25(23-11)10-13-5-4-6-14(7-13)18(26)21-9-16-15(19)8-22-24(16)3/h4-8H,9-10H2,1-3H3,(H,21,26)
InChIKeyQGGSYNXOQIIVBE-UHFFFAOYSA-N
MW481.19 g/mol
LogP3.74
Rot. Bonds5

About 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide

3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide (PubChem CID 19296466) has the molecular formula C18H19Br2N5O and a molecular weight of 481.19 g/mol. Its IUPAC name is 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide
PubChem CID19296466
Molecular FormulaC18H19Br2N5O
Molecular Weight481.19 g/mol
Exact Mass479.00
IUPAC Name3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide
SMILESCc1nn(Cc2cccc(C(=O)NCc3c(Br)cnn3C)c2)c(C)c1Br
InChIInChI=1S/C18H19Br2N5O/c1-11-17(20)12(2)25(23-11)10-13-5-4-6-14(7-13)18(26)21-9-16-15(19)8-22-24(16)3/h4-8H,9-10H2,1-3H3,(H,21,26)
InChIKeyQGGSYNXOQIIVBE-UHFFFAOYSA-N
XLogP3.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394333
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-methylbenzamide
CID 19458448
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 19296446
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336255
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 35324251
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 35324266
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19283987
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340555
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-iodo-2-methylphenyl)benzamide
CID 5211677
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 35324154
3-[(4-bromopyrazol-1-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282362
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408561

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide?
The IUPAC name of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide (CID 19296466) is 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide is Cc1nn(Cc2cccc(C(=O)NCc3c(Br)cnn3C)c2)c(C)c1Br.
What is the InChIKey of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide?
The InChIKey is QGGSYNXOQIIVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2N5O/c1-11-17(20)12(2)25(23-11)10-13-5-4-6-14(7-13)18(26)21-9-16-15(19)8-22-24(16)3/h4-8H,9-10H2,1-3H3,(H,21,26).
What are the key properties of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide?
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide has a molecular weight of 481.19 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 19296466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).