4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide

C19H19BrN4O — CID 87041619

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)n1
InChIInChI=1S/C19H19BrN4O/c1-12-5-4-6-16(22-12)11-21-19(25)15-7-9-17(10-8-15)24-14(3)18(20)13(2)23-24/h4-10H,11H2,1-3H3,(H,21,25)
InChIKeyDWLMZHOSDHSJIS-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.89
Rot. Bonds4

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 87041619) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID87041619
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)n1
InChIInChI=1S/C19H19BrN4O/c1-12-5-4-6-16(22-12)11-21-19(25)15-7-9-17(10-8-15)24-14(3)18(20)13(2)23-24/h4-10H,11H2,1-3H3,(H,21,25)
InChIKeyDWLMZHOSDHSJIS-UHFFFAOYSA-N
XLogP3.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
CID 55692811
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953250
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55606385
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041675
ethyl N-[2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 56558959
3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103841720
2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853869
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(propanoylamino)phenyl]benzamide
CID 55787983
3-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]propanoic acid
CID 119233026
N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide
CID 55617066
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33138536

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide (CID 87041619) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)n1.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is DWLMZHOSDHSJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-12-5-4-6-16(22-12)11-21-19(25)15-7-9-17(10-8-15)24-14(3)18(20)13(2)23-24/h4-10H,11H2,1-3H3,(H,21,25).
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 399.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 87041619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).