3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide

C17H24N4O2S — CID 167969248

IUPAC3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NCc1cnn(C)c1C1CC1
InChIInChI=1S/C17H24N4O2S/c1-12-5-8-15(24(22,23)20(2)3)9-16(12)18-10-14-11-19-21(4)17(14)13-6-7-13/h5,8-9,11,13,18H,6-7,10H2,1-4H3
InChIKeyZHTDDFCGJIRCHB-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.47
Rot. Bonds6

About 3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide

3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide (PubChem CID 167969248) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide
PubChem CID167969248
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NCc1cnn(C)c1C1CC1
InChIInChI=1S/C17H24N4O2S/c1-12-5-8-15(24(22,23)20(2)3)9-16(12)18-10-14-11-19-21(4)17(14)13-6-7-13/h5,8-9,11,13,18H,6-7,10H2,1-4H3
InChIKeyZHTDDFCGJIRCHB-UHFFFAOYSA-N
XLogP2.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide 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

4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 146145272
3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N,4-trimethylbenzenesulfonamide
CID 78841896
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106048174
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79529330
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline
CID 43685075
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide
CID 79569576
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79579238
N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide
CID 134018234
6-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-2H-isoquinolin-1-one
CID 154784983
3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N,N,4-trimethylbenzenesulfonamide
CID 55409548
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 43019205
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide?
The IUPAC name of 3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide (CID 167969248) is 3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide?
The canonical SMILES for 3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1cnn(C)c1C1CC1.
What is the InChIKey of 3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide?
The InChIKey is ZHTDDFCGJIRCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12-5-8-15(24(22,23)20(2)3)9-16(12)18-10-14-11-19-21(4)17(14)13-6-7-13/h5,8-9,11,13,18H,6-7,10H2,1-4H3.
What are the key properties of 3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide?
3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1-methylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 167969248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).