3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide

C16H19BrN4O3S — CID 37287270

IUPAC3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1
InChIInChI=1S/C16H19BrN4O3S/c1-25(23,24)21-8-6-13(7-9-21)18-16(22)15-10-14(19-20-15)11-2-4-12(17)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,18,22)(H,19,20)
InChIKeyOWUBUPUFAKJLHY-UHFFFAOYSA-N
MW427.32 g/mol
LogP1.99
Rot. Bonds4

About 3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide

3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 37287270) has the molecular formula C16H19BrN4O3S and a molecular weight of 427.32 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID37287270
Molecular FormulaC16H19BrN4O3S
Molecular Weight427.32 g/mol
Exact Mass426.04
IUPAC Name3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1
InChIInChI=1S/C16H19BrN4O3S/c1-25(23,24)21-8-6-13(7-9-21)18-16(22)15-10-14(19-20-15)11-2-4-12(17)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,18,22)(H,19,20)
InChIKeyOWUBUPUFAKJLHY-UHFFFAOYSA-N
XLogP1.99
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 9247830
3-(4-bromophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166179780
3-(4-bromophenyl)-N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 166198634
cis-(1S,3R)-3-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677069
3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 91631956
4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871266
3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 78870645
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 103826480
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 24672014
3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 74237167
2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
CID 60734326

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide (CID 37287270) is 3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide is CS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1.
What is the InChIKey of 3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is OWUBUPUFAKJLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O3S/c1-25(23,24)21-8-6-13(7-9-21)18-16(22)15-10-14(19-20-15)11-2-4-12(17)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 427.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 37287270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).