1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide

C10H20N6O2S — CID 106075440

IUPAC1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide
SMILESCN1CCN(NS(=O)(=O)c2cnn(CCN)c2)CC1
InChIInChI=1S/C10H20N6O2S/c1-14-4-6-15(7-5-14)13-19(17,18)10-8-12-16(9-10)3-2-11/h8-9,13H,2-7,11H2,1H3
InChIKeyQYYWZLRXCMVOAQ-UHFFFAOYSA-N
MW288.38 g/mol
LogP-1.72
Rot. Bonds5

About 1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide (PubChem CID 106075440) has the molecular formula C10H20N6O2S and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide
PubChem CID106075440
Molecular FormulaC10H20N6O2S
Molecular Weight288.38 g/mol
Exact Mass288.14
IUPAC Name1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide
SMILESCN1CCN(NS(=O)(=O)c2cnn(CCN)c2)CC1
InChIInChI=1S/C10H20N6O2S/c1-14-4-6-15(7-5-14)13-19(17,18)10-8-12-16(9-10)3-2-11/h8-9,13H,2-7,11H2,1H3
InChIKeyQYYWZLRXCMVOAQ-UHFFFAOYSA-N
XLogP-1.72
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)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

Related Compounds

1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075263
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603
1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075195
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N-(2,3-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106060239
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide
CID 106059548
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
CID 106027732

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide (CID 106075440) is 1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide is CN1CCN(NS(=O)(=O)c2cnn(CCN)c2)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide?
The InChIKey is QYYWZLRXCMVOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2S/c1-14-4-6-15(7-5-14)13-19(17,18)10-8-12-16(9-10)3-2-11/h8-9,13H,2-7,11H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide has a molecular weight of 288.38 g/mol, XLogP of -1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106075440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).