1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide

C12H24N4O2S — CID 106058189

IUPAC1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cnn(CCCNC)c1
InChIInChI=1S/C12H24N4O2S/c1-3-4-5-8-15-19(17,18)12-10-14-16(11-12)9-6-7-13-2/h10-11,13,15H,3-9H2,1-2H3
InChIKeyAWQHSZNMSXCGSQ-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.96
Rot. Bonds10

About 1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide

1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide (PubChem CID 106058189) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
PubChem CID106058189
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cnn(CCCNC)c1
InChIInChI=1S/C12H24N4O2S/c1-3-4-5-8-15-19(17,18)12-10-14-16(11-12)9-6-7-13-2/h10-11,13,15H,3-9H2,1-2H3
InChIKeyAWQHSZNMSXCGSQ-UHFFFAOYSA-N
XLogP0.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.96
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

1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
N-(3-butoxypropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106080429
3-[4-(hexylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513674
1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 106077484
1-[3-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018228
N-(2-methylsulfanylethyl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106063821
N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106035138
N-[3-(methylamino)propyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120707265
1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide
CID 106074259
1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide
CID 107818607
1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075263
N-(2-ethoxyethyl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106020171

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide?
The IUPAC name of 1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide (CID 106058189) is 1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide is CCCCCNS(=O)(=O)c1cnn(CCCNC)c1.
What is the InChIKey of 1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide?
The InChIKey is AWQHSZNMSXCGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-3-4-5-8-15-19(17,18)12-10-14-16(11-12)9-6-7-13-2/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of 1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide?
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.96, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide is sourced from PubChem (CID 106058189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).