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

C10H16N6O2S — CID 106084971

IUPAC1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(CCN)c1)c1ncc[nH]1
InChIInChI=1S/C10H16N6O2S/c1-8(10-12-3-4-13-10)15-19(17,18)9-6-14-16(7-9)5-2-11/h3-4,6-8,15H,2,5,11H2,1H3,(H,12,13)
InChIKeyGTXIYODKAFHNPJ-UHFFFAOYSA-N
MW284.35 g/mol
LogP-0.40
Rot. Bonds6

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

1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 106084971) has the molecular formula C10H16N6O2S and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID106084971
Molecular FormulaC10H16N6O2S
Molecular Weight284.35 g/mol
Exact Mass284.11
IUPAC Name1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(CCN)c1)c1ncc[nH]1
InChIInChI=1S/C10H16N6O2S/c1-8(10-12-3-4-13-10)15-19(17,18)9-6-14-16(7-9)5-2-11/h3-4,6-8,15H,2,5,11H2,1H3,(H,12,13)
InChIKeyGTXIYODKAFHNPJ-UHFFFAOYSA-N
XLogP-0.40
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide
CID 106021617
1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429
1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide
CID 79232497
4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106084999
1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106036746
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
3-(aminomethyl)-2,4-difluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106085041
1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
CID 106017137
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
3-amino-5-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 114626240
2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide
CID 106085015

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide (CID 106084971) is 1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cnn(CCN)c1)c1ncc[nH]1.
What is the InChIKey of 1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is GTXIYODKAFHNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-8(10-12-3-4-13-10)15-19(17,18)9-6-14-16(7-9)5-2-11/h3-4,6-8,15H,2,5,11H2,1H3,(H,12,13).
What are the key properties of 1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 284.35 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106084971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).