N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide

C19H31N7O2S — CID 16756127

IUPACN,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
SMILESCc1nn(CCCCN2CCN(c3ncccn3)CC2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C19H31N7O2S/c1-16-18(29(27,28)23(3)4)17(2)26(22-16)11-6-5-10-24-12-14-25(15-13-24)19-20-8-7-9-21-19/h7-9H,5-6,10-15H2,1-4H3
InChIKeyUOYLLFDNSSXRDR-UHFFFAOYSA-N
MW421.57 g/mol
LogP1.14
Rot. Bonds8

About N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide

N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide (PubChem CID 16756127) has the molecular formula C19H31N7O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
PubChem CID16756127
Molecular FormulaC19H31N7O2S
Molecular Weight421.57 g/mol
Exact Mass421.23
IUPAC NameN,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
SMILESCc1nn(CCCCN2CCN(c3ncccn3)CC2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C19H31N7O2S/c1-16-18(29(27,28)23(3)4)17(2)26(22-16)11-6-5-10-24-12-14-25(15-13-24)19-20-8-7-9-21-19/h7-9H,5-6,10-15H2,1-4H3
InChIKeyUOYLLFDNSSXRDR-UHFFFAOYSA-N
XLogP1.14
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide 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

1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 6467341
5,7-Dimethyl-3-(4-methylpiperazin-1-yl)sulfonylpyrazolo[1,5-a]pyrimidine
CID 89832661
4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-6-(4-(propylsulfonyl)piperazin-1-yl)pyrimidine
CID 50947580
4-(4-((1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 91631586
2-[4-[1-(4-Fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazin-1-yl]pyrimidine
CID 53075864
1,3-Dimethyl-4-[(4-(2-pyridyl)piperazinyl)sulfonyl]pyrazole
CID 6470725
4-(4-(butylsulfonyl)piperazin-1-yl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidine
CID 30868067
4-{4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}-6-(1H-1,2,4-triazol-1-yl)pyrimidine
CID 76150566
4-(3,5-Dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 53172430
N-({5-[4-(methylamino)pyrimidin-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)methanesulfonamide
CID 118791027
4-(1-methyl-1H-imidazol-5-yl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 137966430
2-[4-[4-[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]butyl]piperazin-1-yl]pyrimidine
CID 15788035

Frequently Asked Questions

What is the IUPAC name of N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide?
The IUPAC name of N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide (CID 16756127) is N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide?
The canonical SMILES for N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide is Cc1nn(CCCCN2CCN(c3ncccn3)CC2)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide?
The InChIKey is UOYLLFDNSSXRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O2S/c1-16-18(29(27,28)23(3)4)17(2)26(22-16)11-6-5-10-24-12-14-25(15-13-24)19-20-8-7-9-21-19/h7-9H,5-6,10-15H2,1-4H3.
What are the key properties of N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide?
N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide has a molecular weight of 421.57 g/mol, XLogP of 1.14, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,5-tetramethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 16756127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).