5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide

C10H17N7O2S — CID 106077187

IUPAC5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)NCCn2ccnn2)n[nH]c1C
InChIInChI=1S/C10H17N7O2S/c1-8-9(7-11-2)10(15-14-8)20(18,19)13-4-6-17-5-3-12-16-17/h3,5,11,13H,4,6-7H2,1-2H3,(H,14,15)
InChIKeyPBDLYJYHWFXSOB-UHFFFAOYSA-N
MW299.36 g/mol
LogP-0.99
Rot. Bonds7

About 5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide

5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide (PubChem CID 106077187) has the molecular formula C10H17N7O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
PubChem CID106077187
Molecular FormulaC10H17N7O2S
Molecular Weight299.36 g/mol
Exact Mass299.12
IUPAC Name5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)NCCn2ccnn2)n[nH]c1C
InChIInChI=1S/C10H17N7O2S/c1-8-9(7-11-2)10(15-14-8)20(18,19)13-4-6-17-5-3-12-16-17/h3,5,11,13H,4,6-7H2,1-2H3,(H,14,15)
InChIKeyPBDLYJYHWFXSOB-UHFFFAOYSA-N
XLogP-0.99
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-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

5-methyl-3-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 106076996
5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106064978
N-(2-ethoxyethyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 114137677
5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 106077162
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106066522
4-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-5-sulfonamide
CID 106077016
5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide
CID 106049895
N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693334
5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106052878
4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106001618
4-(aminomethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106092020
5-methyl-4-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106094369

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide?
The IUPAC name of 5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide (CID 106077187) is 5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide is CNCc1c(S(=O)(=O)NCCn2ccnn2)n[nH]c1C.
What is the InChIKey of 5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide?
The InChIKey is PBDLYJYHWFXSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O2S/c1-8-9(7-11-2)10(15-14-8)20(18,19)13-4-6-17-5-3-12-16-17/h3,5,11,13H,4,6-7H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide?
5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of -0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106077187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).