N-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

C19H27N5O3S — CID 24792053

IUPACN-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCN(C)S(=O)(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C19H27N5O3S/c1-22(2)28(26,27)23-14-11-17(12-15-23)24-18(10-13-20-24)21-19(25)9-8-16-6-4-3-5-7-16/h3-7,10,13,17H,8-9,11-12,14-15H2,1-2H3,(H,21,25)
InChIKeyKRJCZZFIWLOGHU-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.90
Rot. Bonds7

About N-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

N-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 24792053) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID24792053
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC NameN-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCN(C)S(=O)(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C19H27N5O3S/c1-22(2)28(26,27)23-14-11-17(12-15-23)24-18(10-13-20-24)21-19(25)9-8-16-6-4-3-5-7-16/h3-7,10,13,17H,8-9,11-12,14-15H2,1-2H3,(H,21,25)
InChIKeyKRJCZZFIWLOGHU-UHFFFAOYSA-N
XLogP1.90
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 24792053) is N-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is CN(C)S(=O)(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is KRJCZZFIWLOGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-22(2)28(26,27)23-14-11-17(12-15-23)24-18(10-13-20-24)21-19(25)9-8-16-6-4-3-5-7-16/h3-7,10,13,17H,8-9,11-12,14-15H2,1-2H3,(H,21,25).
What are the key properties of N-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 405.52 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(dimethylsulfamoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 24792053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).