4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide

C16H19N5O2S — CID 70717745

IUPAC4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
SMILESCc1cc(NCCc2ccc(S(N)(=O)=O)cc2)n2nc(C)cc2n1
InChIInChI=1S/C16H19N5O2S/c1-11-9-15(21-16(19-11)10-12(2)20-21)18-8-7-13-3-5-14(6-4-13)24(17,22)23/h3-6,9-10,18H,7-8H2,1-2H3,(H2,17,22,23)
InChIKeyAKRFDFYZGQHULK-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.65
Rot. Bonds5

About 4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide

4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide (PubChem CID 70717745) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
PubChem CID70717745
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
SMILESCc1cc(NCCc2ccc(S(N)(=O)=O)cc2)n2nc(C)cc2n1
InChIInChI=1S/C16H19N5O2S/c1-11-9-15(21-16(19-11)10-12(2)20-21)18-8-7-13-3-5-14(6-4-13)24(17,22)23/h3-6,9-10,18H,7-8H2,1-2H3,(H2,17,22,23)
InChIKeyAKRFDFYZGQHULK-UHFFFAOYSA-N
XLogP1.65
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]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

N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 18406994
2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575518
4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922501
4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870
4-[2-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922508
2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70772578
4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112913985
4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 133499860
4-[2-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922513
4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922514
5,7-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46585831
4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 91793394

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide (CID 70717745) is 4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide is Cc1cc(NCCc2ccc(S(N)(=O)=O)cc2)n2nc(C)cc2n1.
What is the InChIKey of 4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is AKRFDFYZGQHULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-11-9-15(21-16(19-11)10-12(2)20-21)18-8-7-13-3-5-14(6-4-13)24(17,22)23/h3-6,9-10,18H,7-8H2,1-2H3,(H2,17,22,23).
What are the key properties of 4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 345.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 70717745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).