5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide

C10H16N6O2S — CID 82459797

IUPAC5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)NCCCn2ccnc2)c1N
InChIInChI=1S/C10H16N6O2S/c1-15-10(11)9(7-13-15)19(17,18)14-3-2-5-16-6-4-12-8-16/h4,6-8,14H,2-3,5,11H2,1H3
InChIKeyYLTOIZDMWSVBKF-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.43
Rot. Bonds6

About 5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide

5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 82459797) has the molecular formula C10H16N6O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide
PubChem CID82459797
Molecular FormulaC10H16N6O2S
Molecular Weight284.34 g/mol
Exact Mass284.11
IUPAC Name5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)NCCCn2ccnc2)c1N
InChIInChI=1S/C10H16N6O2S/c1-15-10(11)9(7-13-15)19(17,18)14-3-2-5-16-6-4-12-8-16/h4,6-8,14H,2-3,5,11H2,1H3
InChIKeyYLTOIZDMWSVBKF-UHFFFAOYSA-N
XLogP-0.43
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 28993569
5-amino-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-sulfonamide
CID 82459771
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 43455140
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
2,3,4-trichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 4914515
2,5-dibromo-N-(3-imidazol-1-ylpropyl)-4-methylbenzenesulfonamide
CID 81427897
5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide
CID 106029787
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
N-(3-imidazol-1-ylpropyl)-4-methylsulfanylbenzenesulfonamide
CID 6459195
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 94963622
N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide (CID 82459797) is 5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide is Cn1ncc(S(=O)(=O)NCCCn2ccnc2)c1N.
What is the InChIKey of 5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is YLTOIZDMWSVBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-15-10(11)9(7-13-15)19(17,18)14-3-2-5-16-6-4-12-8-16/h4,6-8,14H,2-3,5,11H2,1H3.
What are the key properties of 5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide?
5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of -0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 82459797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).