N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine

C13H25N5O2S — CID 114551758

IUPACN-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn[nH]c1S(=O)(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C13H25N5O2S/c1-5-14-6-12-7-15-16-13(12)21(19,20)18-8-10(2)17(4)11(3)9-18/h7,10-11,14H,5-6,8-9H2,1-4H3,(H,15,16)
InChIKeyFQGKMWGCWASNSL-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.23
Rot. Bonds5

About N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine

N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine (PubChem CID 114551758) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
PubChem CID114551758
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC NameN-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn[nH]c1S(=O)(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C13H25N5O2S/c1-5-14-6-12-7-15-16-13(12)21(19,20)18-8-10(2)17(4)11(3)9-18/h7,10-11,14H,5-6,8-9H2,1-4H3,(H,15,16)
InChIKeyFQGKMWGCWASNSL-UHFFFAOYSA-N
XLogP0.23
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 106590018
N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106075100
N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106068893
N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine
CID 103504276
4-(ethylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106094891
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106086121
4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106027691
4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106093464
4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106080343
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106094973
N-(3,5-dichlorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058989
4-(ethylaminomethyl)-N-(2-methyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106094012

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine (CID 114551758) is N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine is CCNCc1cn[nH]c1S(=O)(=O)N1CC(C)N(C)C(C)C1.
What is the InChIKey of N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine?
The InChIKey is FQGKMWGCWASNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-5-14-6-12-7-15-16-13(12)21(19,20)18-8-10(2)17(4)11(3)9-18/h7,10-11,14H,5-6,8-9H2,1-4H3,(H,15,16).
What are the key properties of N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine?
N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine has a molecular weight of 315.44 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114551758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).