4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide

C17H19BrN4O2 — CID 60615750

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NC3CCC(=O)NC3)cc2)c(C)c1Br
InChIInChI=1S/C17H19BrN4O2/c1-10-16(18)11(2)22(21-10)14-6-3-12(4-7-14)17(24)20-13-5-8-15(23)19-9-13/h3-4,6-7,13H,5,8-9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyOVQGBTPOPGCGRI-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.26
Rot. Bonds3

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 60615750) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID60615750
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NC3CCC(=O)NC3)cc2)c(C)c1Br
InChIInChI=1S/C17H19BrN4O2/c1-10-16(18)11(2)22(21-10)14-6-3-12(4-7-14)17(24)20-13-5-8-15(23)19-9-13/h3-4,6-7,13H,5,8-9H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyOVQGBTPOPGCGRI-UHFFFAOYSA-N
XLogP2.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
CID 62896612
4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 113256480
3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 62492298
4-(N'-hydroxycarbamimidoyl)-N-(6-oxopiperidin-3-yl)benzamide
CID 77004005
4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60617057
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
4-methyl-N-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]benzamide
CID 63373381
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
4-hydrazinyl-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662542
N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide
CID 62489932

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide (CID 60615750) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide is Cc1nn(-c2ccc(C(=O)NC3CCC(=O)NC3)cc2)c(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is OVQGBTPOPGCGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-10-16(18)11(2)22(21-10)14-6-3-12(4-7-14)17(24)20-13-5-8-15(23)19-9-13/h3-4,6-7,13H,5,8-9H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 391.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 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-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 60615750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).