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

C24H24BrN5O — CID 19284667

IUPAC4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3ccc(Cn4nc(C)c(Br)c4C)cc3)n2)cc1
InChIInChI=1S/C24H24BrN5O/c1-16-4-6-19(7-5-16)14-29-13-12-22(28-29)26-24(31)21-10-8-20(9-11-21)15-30-18(3)23(25)17(2)27-30/h4-13H,14-15H2,1-3H3,(H,26,28,31)
InChIKeyGLHYBFZFCQYEGV-UHFFFAOYSA-N
MW478.39 g/mol
LogP5.12
Rot. Bonds6

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

4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19284667) has the molecular formula C24H24BrN5O and a molecular weight of 478.39 g/mol. Its IUPAC name is 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19284667
Molecular FormulaC24H24BrN5O
Molecular Weight478.39 g/mol
Exact Mass477.12
IUPAC Name4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3ccc(Cn4nc(C)c(Br)c4C)cc3)n2)cc1
InChIInChI=1S/C24H24BrN5O/c1-16-4-6-19(7-5-16)14-29-13-12-22(28-29)26-24(31)21-10-8-20(9-11-21)15-30-18(3)23(25)17(2)27-30/h4-13H,14-15H2,1-3H3,(H,26,28,31)
InChIKeyGLHYBFZFCQYEGV-UHFFFAOYSA-N
XLogP5.12
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 19283781
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 19346186
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285724
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 35323608
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19264337
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-enylbenzamide
CID 35529506
4,5-dibromo-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19284580

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide (CID 19284667) is 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide is Cc1ccc(Cn2ccc(NC(=O)c3ccc(Cn4nc(C)c(Br)c4C)cc3)n2)cc1.
What is the InChIKey of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is GLHYBFZFCQYEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN5O/c1-16-4-6-19(7-5-16)14-29-13-12-22(28-29)26-24(31)21-10-8-20(9-11-21)15-30-18(3)23(25)17(2)27-30/h4-13H,14-15H2,1-3H3,(H,26,28,31).
What are the key properties of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide?
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 478.39 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19284667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).