4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide

C23H25BrN4O — CID 55845430

IUPAC4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3ccc(-n4cc(Br)cn4)cc3)CC2)c1
InChIInChI=1S/C23H25BrN4O/c1-17-3-2-4-18(13-17)15-27-11-9-21(10-12-27)26-23(29)19-5-7-22(8-6-19)28-16-20(24)14-25-28/h2-8,13-14,16,21H,9-12,15H2,1H3,(H,26,29)
InChIKeyBZGZWVHADAYHRL-UHFFFAOYSA-N
MW453.38 g/mol
LogP4.34
Rot. Bonds5

About 4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide

4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 55845430) has the molecular formula C23H25BrN4O and a molecular weight of 453.38 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID55845430
Molecular FormulaC23H25BrN4O
Molecular Weight453.38 g/mol
Exact Mass452.12
IUPAC Name4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3ccc(-n4cc(Br)cn4)cc3)CC2)c1
InChIInChI=1S/C23H25BrN4O/c1-17-3-2-4-18(13-17)15-27-11-9-21(10-12-27)26-23(29)19-5-7-22(8-6-19)28-16-20(24)14-25-28/h2-8,13-14,16,21H,9-12,15H2,1H3,(H,26,29)
InChIKeyBZGZWVHADAYHRL-UHFFFAOYSA-N
XLogP4.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide
CID 46438180
4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482213
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142
3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 155963075
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55745166
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482229
1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55735271
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55735053
7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 46483246
1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 124844447

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide (CID 55845430) is 4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide is Cc1cccc(CN2CCC(NC(=O)c3ccc(-n4cc(Br)cn4)cc3)CC2)c1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is BZGZWVHADAYHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O/c1-17-3-2-4-18(13-17)15-27-11-9-21(10-12-27)26-23(29)19-5-7-22(8-6-19)28-16-20(24)14-25-28/h2-8,13-14,16,21H,9-12,15H2,1H3,(H,26,29).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 453.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55845430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).