5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide

C8H12N6O2S — CID 61323863

IUPAC5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C8H12N6O2S/c9-8-7(5-11-13-8)17(15,16)12-2-4-14-3-1-10-6-14/h1,3,5-6,12H,2,4H2,(H3,9,11,13)
InChIKeyBVEUTEKTQFMPPJ-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.83
Rot. Bonds5

About 5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61323863) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID61323863
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC Name5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C8H12N6O2S/c9-8-7(5-11-13-8)17(15,16)12-2-4-14-3-1-10-6-14/h1,3,5-6,12H,2,4H2,(H3,9,11,13)
InChIKeyBVEUTEKTQFMPPJ-UHFFFAOYSA-N
XLogP-0.83
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide (CID 61323863) is 5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCCn1ccnc1.
What is the InChIKey of 5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is BVEUTEKTQFMPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c9-8-7(5-11-13-8)17(15,16)12-2-4-14-3-1-10-6-14/h1,3,5-6,12H,2,4H2,(H3,9,11,13).
What are the key properties of 5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61323863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).