4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide

C19H19N3O4S — CID 162670996

IUPAC4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H19N3O4S/c1-3-19(23)17-12-18(13-4-10-16(11-5-13)27(20,24)25)22(21-17)14-6-8-15(26-2)9-7-14/h4-12H,3H2,1-2H3,(H2,20,24,25)
InChIKeyKKHGBVILBPTWMR-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.79
Rot. Bonds6

About 4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide

4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide (PubChem CID 162670996) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
PubChem CID162670996
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H19N3O4S/c1-3-19(23)17-12-18(13-4-10-16(11-5-13)27(20,24)25)22(21-17)14-6-8-15(26-2)9-7-14/h4-12H,3H2,1-2H3,(H2,20,24,25)
InChIKeyKKHGBVILBPTWMR-UHFFFAOYSA-N
XLogP2.79
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methoxyphenyl)-N-methyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315479
2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
CID 139817988
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 10523251
1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea
CID 87973346
ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 158834534
bis[(4-bromophenyl)-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]methoxy]-oxophosphanium
CID 175018714
5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 166610813
4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10316466
ethyl (E)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-3-(4-methylphenyl)prop-2-enoate
CID 14871154
methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate
CID 22316990
[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
CID 14871128
[5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-cyclopropylmethanone
CID 58806793

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide (CID 162670996) is 4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide is CCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(OC)cc2)n1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide?
The InChIKey is KKHGBVILBPTWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-19(23)17-12-18(13-4-10-16(11-5-13)27(20,24)25)22(21-17)14-6-8-15(26-2)9-7-14/h4-12H,3H2,1-2H3,(H2,20,24,25).
What are the key properties of 4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide?
4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 162670996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).