N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide

C11H18N6O2S — CID 106066522

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)NCCc2cnc[nH]2)n[nH]c1C
InChIInChI=1S/C11H18N6O2S/c1-8-10(6-12-2)11(17-16-8)20(18,19)15-4-3-9-5-13-7-14-9/h5,7,12,15H,3-4,6H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyCXNXYPJUGWNSMW-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.32
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide

N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide (PubChem CID 106066522) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
PubChem CID106066522
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)NCCc2cnc[nH]2)n[nH]c1C
InChIInChI=1S/C11H18N6O2S/c1-8-10(6-12-2)11(17-16-8)20(18,19)15-4-3-9-5-13-7-14-9/h5,7,12,15H,3-4,6H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyCXNXYPJUGWNSMW-UHFFFAOYSA-N
XLogP-0.32
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114141590
N-(2-ethoxyethyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 114137677
5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide
CID 106049895
2-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106066538
5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106077187
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692
N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide
CID 106066562
5-methyl-4-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106094369
5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106064978
4-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107328062
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide
CID 65230879
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide (CID 106066522) is N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide is CNCc1c(S(=O)(=O)NCCc2cnc[nH]2)n[nH]c1C.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The InChIKey is CXNXYPJUGWNSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-8-10(6-12-2)11(17-16-8)20(18,19)15-4-3-9-5-13-7-14-9/h5,7,12,15H,3-4,6H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of -0.32, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106066522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).