3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide

C17H23FN4O3S — CID 50794645

IUPAC3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCc1cc(F)ccc1NC(=O)CCn1nc(C)c(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C17H23FN4O3S/c1-11-10-14(18)6-7-15(11)19-16(23)8-9-22-13(3)17(12(2)20-22)26(24,25)21(4)5/h6-7,10H,8-9H2,1-5H3,(H,19,23)
InChIKeyBLWIBVVPOJYDIL-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.23
Rot. Bonds6

About 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide

3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide (PubChem CID 50794645) 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-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide
PubChem CID50794645
Molecular FormulaC17H23FN4O3S
Molecular Weight382.46 g/mol
Exact Mass382.15
IUPAC Name3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCc1cc(F)ccc1NC(=O)CCn1nc(C)c(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C17H23FN4O3S/c1-11-10-14(18)6-7-15(11)19-16(23)8-9-22-13(3)17(12(2)20-22)26(24,25)21(4)5/h6-7,10H,8-9H2,1-5H3,(H,19,23)
InChIKeyBLWIBVVPOJYDIL-UHFFFAOYSA-N
XLogP2.23
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794695
3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 50794639
N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794675
N-(3-chloro-4-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794676
N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345113
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794579
N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
N-(3,4-dimethylphenyl)-1-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]-6-oxopyridazine-3-carboxamide
CID 53066184
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 8010824
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 50794531

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide (CID 50794645) is 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide is Cc1cc(F)ccc1NC(=O)CCn1nc(C)c(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The InChIKey is BLWIBVVPOJYDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3S/c1-11-10-14(18)6-7-15(11)19-16(23)8-9-22-13(3)17(12(2)20-22)26(24,25)21(4)5/h6-7,10H,8-9H2,1-5H3,(H,19,23).
What are the key properties of 3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide has a molecular weight of 382.46 g/mol, XLogP of 2.23, 6 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-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 50794645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).