2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide

C9H18N4O2S — CID 104710231

IUPAC2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H18N4O2S/c1-3-5-10-7-8-12-16(14,15)9-4-6-11-13(9)2/h4,6,10,12H,3,5,7-8H2,1-2H3
InChIKeyJLCDMAVSIVZDMU-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.30
Rot. Bonds7

About 2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide

2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide (PubChem CID 104710231) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
PubChem CID104710231
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H18N4O2S/c1-3-5-10-7-8-12-16(14,15)9-4-6-11-13(9)2/h4,6,10,12H,3,5,7-8H2,1-2H3
InChIKeyJLCDMAVSIVZDMU-UHFFFAOYSA-N
XLogP-0.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 113444011
2-methyl-N-[2-(propan-2-ylamino)ethyl]pyrazole-3-sulfonamide
CID 104710232
2-methyl-N-[3-(methylamino)propyl]pyrazole-3-sulfonamide
CID 104709474
N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide
CID 107848847
N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide
CID 107322765
N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
CID 113451663
N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
CID 104709354
N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 104710326
N-(4-bromopentyl)-2-methylpyrazole-3-sulfonamide
CID 106135642
ethyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 113444020
2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783
N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide
CID 106158843

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide (CID 104710231) is 2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide is CCCNCCNS(=O)(=O)c1ccnn1C.
What is the InChIKey of 2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide?
The InChIKey is JLCDMAVSIVZDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-3-5-10-7-8-12-16(14,15)9-4-6-11-13(9)2/h4,6,10,12H,3,5,7-8H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide?
2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 104710231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).