N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

C11H18N6O2S — CID 106085254

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NCCc2ncc[nH]2)cn1
InChIInChI=1S/C11H18N6O2S/c1-12-6-7-17-9-10(8-15-17)20(18,19)16-3-2-11-13-4-5-14-11/h4-5,8-9,12,16H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyOTKLNZHEEQRQAB-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.65
Rot. Bonds8

About N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106085254) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106085254
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NCCc2ncc[nH]2)cn1
InChIInChI=1S/C11H18N6O2S/c1-12-6-7-17-9-10(8-15-17)20(18,19)16-3-2-11-13-4-5-14-11/h4-5,8-9,12,16H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyOTKLNZHEEQRQAB-UHFFFAOYSA-N
XLogP-0.65
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017953
N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106069221
1-[2-(methylamino)ethyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 106064162
N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106035138
1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106085262
N-(3-butoxypropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106080429
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 114613759
N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79864992
N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106086810
1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 106077484

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (CID 106085254) is N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is CNCCn1cc(S(=O)(=O)NCCc2ncc[nH]2)cn1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is OTKLNZHEEQRQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-12-6-7-17-9-10(8-15-17)20(18,19)16-3-2-11-13-4-5-14-11/h4-5,8-9,12,16H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of -0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106085254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).