3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide

C17H23FN4O3S — CID 50794639

IUPAC3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1nn(CCC(=O)NCc2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C17H23FN4O3S/c1-12-17(26(24,25)21(3)4)13(2)22(20-12)10-9-16(23)19-11-14-5-7-15(18)8-6-14/h5-8H,9-11H2,1-4H3,(H,19,23)
InChIKeyCOAUXOHERSSRLV-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.60
Rot. Bonds7

About 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide

3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 50794639) has the molecular formula C17H23FN4O3S and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID50794639
Molecular FormulaC17H23FN4O3S
Molecular Weight382.46 g/mol
Exact Mass382.15
IUPAC Name3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1nn(CCC(=O)NCc2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C17H23FN4O3S/c1-12-17(26(24,25)21(3)4)13(2)22(20-12)10-9-16(23)19-11-14-5-7-15(18)8-6-14/h5-8H,9-11H2,1-4H3,(H,19,23)
InChIKeyCOAUXOHERSSRLV-UHFFFAOYSA-N
XLogP1.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 50794645
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 45106996
N-[[4-(dimethylamino)phenyl]methyl]-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
CID 46345195
4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 53139373
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399
N-(3-chloro-4-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794676
N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794695
N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794675
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555724
3-[5-(diethylsulfamoyl)benzotriazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53064559
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 8009619
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide (CID 50794639) is 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide is Cc1nn(CCC(=O)NCc2ccc(F)cc2)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is COAUXOHERSSRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3S/c1-12-17(26(24,25)21(3)4)13(2)22(20-12)10-9-16(23)19-11-14-5-7-15(18)8-6-14/h5-8H,9-11H2,1-4H3,(H,19,23).
What are the key properties of 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 382.46 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 50794639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).