5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide

C10H20N6O2S — CID 54861083

IUPAC5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCN1CCN(CCNS(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C10H20N6O2S/c1-15-4-6-16(7-5-15)3-2-13-19(17,18)9-8-12-14-10(9)11/h8,13H,2-7H2,1H3,(H3,11,12,14)
InChIKeyVCOOQHKDKPFERS-UHFFFAOYSA-N
MW288.38 g/mol
LogP-1.48
Rot. Bonds5

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

5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 54861083) has the molecular formula C10H20N6O2S and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID54861083
Molecular FormulaC10H20N6O2S
Molecular Weight288.38 g/mol
Exact Mass288.14
IUPAC Name5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCN1CCN(CCNS(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C10H20N6O2S/c1-15-4-6-16(7-5-15)3-2-13-19(17,18)9-8-12-14-10(9)11/h8,13H,2-7H2,1H3,(H3,11,12,14)
InChIKeyVCOOQHKDKPFERS-UHFFFAOYSA-N
XLogP-1.48
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-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-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 54861083) is 5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide is CN1CCN(CCNS(=O)(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of 5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VCOOQHKDKPFERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2S/c1-15-4-6-16(7-5-15)3-2-13-19(17,18)9-8-12-14-10(9)11/h8,13H,2-7H2,1H3,(H3,11,12,14).
What are the key properties of 5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 288.38 g/mol, XLogP of -1.48, 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-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54861083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).