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

C11H18N6O2S — CID 106085113

IUPAC4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC(C)c1ncc[nH]1
InChIInChI=1S/C11H18N6O2S/c1-3-12-6-9-7-15-16-11(9)20(18,19)17-8(2)10-13-4-5-14-10/h4-5,7-8,12,17H,3,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBFUJTJKRYONQCZ-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.28
Rot. Bonds7

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

4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106085113) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID106085113
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC(C)c1ncc[nH]1
InChIInChI=1S/C11H18N6O2S/c1-3-12-6-9-7-15-16-11(9)20(18,19)17-8(2)10-13-4-5-14-10/h4-5,7-8,12,17H,3,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBFUJTJKRYONQCZ-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106080343
5-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106085088
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
N-(4-methylpentan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106028644
N-(1H-imidazol-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106069311
4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106004408
N-(3,5-dichlorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058989
4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106031009
N-(1H-imidazol-2-ylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106069346
4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide
CID 106022701
N-[1-(1H-imidazol-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085042
4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085428

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide (CID 106085113) is 4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)NC(C)c1ncc[nH]1.
What is the InChIKey of 4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is BFUJTJKRYONQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-3-12-6-9-7-15-16-11(9)20(18,19)17-8(2)10-13-4-5-14-10/h4-5,7-8,12,17H,3,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 0.28, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106085113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).