5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C19H24FN5O4S — CID 125007017

IUPAC5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2c2[nH]ncc2C(=O)N(C)C)c1
InChIInChI=1S/C19H24FN5O4S/c1-21-30(28,29)12-7-8-15(20)13(10-12)19(27)25-9-5-4-6-16(25)17-14(11-22-23-17)18(26)24(2)3/h7-8,10-11,16,21H,4-6,9H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyUKJZXGAIMNNKHK-INIZCTEOSA-N
MW437.50 g/mol
LogP1.53
Rot. Bonds5

About 5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 125007017) has the molecular formula C19H24FN5O4S and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID125007017
Molecular FormulaC19H24FN5O4S
Molecular Weight437.50 g/mol
Exact Mass437.15
IUPAC Name5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2c2[nH]ncc2C(=O)N(C)C)c1
InChIInChI=1S/C19H24FN5O4S/c1-21-30(28,29)12-7-8-15(20)13(10-12)19(27)25-9-5-4-6-16(25)17-14(11-22-23-17)18(26)24(2)3/h7-8,10-11,16,21H,4-6,9H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyUKJZXGAIMNNKHK-INIZCTEOSA-N
XLogP1.53
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110088094
5-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259110
5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 166229602
1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 119037219
[5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 127244589
N,N-diethyl-5-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124967626
N,N-diethyl-5-[(2S)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124967625
4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 72924061
N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 166276294
5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 92605973
N,N-dimethyl-5-[1-(2-phenylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110250337
5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 166301564

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 125007017) is 5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is CNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2c2[nH]ncc2C(=O)N(C)C)c1.
What is the InChIKey of 5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is UKJZXGAIMNNKHK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24FN5O4S/c1-21-30(28,29)12-7-8-15(20)13(10-12)19(27)25-9-5-4-6-16(25)17-14(11-22-23-17)18(26)24(2)3/h7-8,10-11,16,21H,4-6,9H2,1-3H3,(H,22,23)/t16-/m0/s1.
What are the key properties of 5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 125007017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).