1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide

C13H25N5O2S — CID 106075195

IUPAC1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
SMILESCCNCCCn1cc(S(=O)(=O)NN2CCCCC2)cn1
InChIInChI=1S/C13H25N5O2S/c1-2-14-7-6-10-18-12-13(11-15-18)21(19,20)16-17-8-4-3-5-9-17/h11-12,14,16H,2-10H2,1H3
InChIKeyAVJUVFFZUUYOJR-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.56
Rot. Bonds8

About 1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide

1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide (PubChem CID 106075195) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
PubChem CID106075195
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
SMILESCCNCCCn1cc(S(=O)(=O)NN2CCCCC2)cn1
InChIInChI=1S/C13H25N5O2S/c1-2-14-7-6-10-18-12-13(11-15-18)21(19,20)16-17-8-4-3-5-9-17/h11-12,14,16H,2-10H2,1H3
InChIKeyAVJUVFFZUUYOJR-UHFFFAOYSA-N
XLogP0.56
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075263
1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106053678
1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 106071539
1-[3-(ethylamino)propyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028314
1-[3-(ethylamino)propyl]-N-(1-methylsulfanylpropan-2-yl)pyrazole-4-sulfonamide
CID 106079543
N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide
CID 106075440
1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 106072292
1-[3-(ethylamino)propyl]-N-(4-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106080120
N-(2-methylbutan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106031589
1-[2-(ethylamino)ethyl]-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazole-4-sulfonamide
CID 106090606

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide (CID 106075195) is 1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide is CCNCCCn1cc(S(=O)(=O)NN2CCCCC2)cn1.
What is the InChIKey of 1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide?
The InChIKey is AVJUVFFZUUYOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-2-14-7-6-10-18-12-13(11-15-18)21(19,20)16-17-8-4-3-5-9-17/h11-12,14,16H,2-10H2,1H3.
What are the key properties of 1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide?
1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 106075195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).