4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide

C19H26N4O3S — CID 46455876

IUPAC4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2ccc(-n3nccc3C)cc2)CC1
InChIInChI=1S/C19H26N4O3S/c1-3-14-27(25,26)22-12-9-17(10-13-22)21-19(24)16-4-6-18(7-5-16)23-15(2)8-11-20-23/h4-8,11,17H,3,9-10,12-14H2,1-2H3,(H,21,24)
InChIKeyKPRUEIRQGYBKPD-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.11
Rot. Bonds6

About 4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide

4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide (PubChem CID 46455876) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide
PubChem CID46455876
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2ccc(-n3nccc3C)cc2)CC1
InChIInChI=1S/C19H26N4O3S/c1-3-14-27(25,26)22-12-9-17(10-13-22)21-19(24)16-4-6-18(7-5-16)23-15(2)8-11-20-23/h4-8,11,17H,3,9-10,12-14H2,1-2H3,(H,21,24)
InChIKeyKPRUEIRQGYBKPD-UHFFFAOYSA-N
XLogP2.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46456147
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46456125
N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 108563028
2-methyl-1,3-dioxo-N-(1-propylsulfonylpiperidin-4-yl)isoindole-5-carboxamide
CID 46456097
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
CID 127667132
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(5-methylpyrazol-1-yl)benzamide
CID 55957745
N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 46651476
3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide
CID 46480197
N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 35417488
3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 55695101
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 78950028

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide (CID 46455876) is 4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide is CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(-n3nccc3C)cc2)CC1.
What is the InChIKey of 4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is KPRUEIRQGYBKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-3-14-27(25,26)22-12-9-17(10-13-22)21-19(24)16-4-6-18(7-5-16)23-15(2)8-11-20-23/h4-8,11,17H,3,9-10,12-14H2,1-2H3,(H,21,24).
What are the key properties of 4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 46455876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).