1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide

C12H24N4O4S — CID 106001877

IUPAC1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide
SMILESCOCCOCCCNS(=O)(=O)c1cnn(CCCN)c1
InChIInChI=1S/C12H24N4O4S/c1-19-8-9-20-7-3-5-15-21(17,18)12-10-14-16(11-12)6-2-4-13/h10-11,15H,2-9,13H2,1H3
InChIKeyCTRZDSNSFTXKIY-UHFFFAOYSA-N
MW320.42 g/mol
LogP-0.44
Rot. Bonds12

About 1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide

1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide (PubChem CID 106001877) has the molecular formula C12H24N4O4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide
PubChem CID106001877
Molecular FormulaC12H24N4O4S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide
SMILESCOCCOCCCNS(=O)(=O)c1cnn(CCCN)c1
InChIInChI=1S/C12H24N4O4S/c1-19-8-9-20-7-3-5-15-21(17,18)12-10-14-16(11-12)6-2-4-13/h10-11,15H,2-9,13H2,1H3
InChIKeyCTRZDSNSFTXKIY-UHFFFAOYSA-N
XLogP-0.44
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide
CID 106074259
N-(3-butoxypropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106080429
1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide
CID 106056409
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1-methylpyrrole-3-sulfonamide
CID 106001590
1-(3-aminopropyl)-N-[(1-methylpiperidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106051046
1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106093633
N-(2-ethoxyethyl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106020171
1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106093615
1-(3-aminopropyl)-N-(4,4-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106068970
1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 106411125
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide (CID 106001877) is 1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide is COCCOCCCNS(=O)(=O)c1cnn(CCCN)c1.
What is the InChIKey of 1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide?
The InChIKey is CTRZDSNSFTXKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O4S/c1-19-8-9-20-7-3-5-15-21(17,18)12-10-14-16(11-12)6-2-4-13/h10-11,15H,2-9,13H2,1H3.
What are the key properties of 1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide has a molecular weight of 320.42 g/mol, XLogP of -0.44, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106001877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).