1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide

C13H25N5O2S — CID 106094798

IUPAC1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCNCCCn1cc(S(=O)(=O)NCC2CCCN2C)cn1
InChIInChI=1S/C13H25N5O2S/c1-14-6-4-8-18-11-13(10-15-18)21(19,20)16-9-12-5-3-7-17(12)2/h10-12,14,16H,3-9H2,1-2H3
InChIKeyWMXBHCWYUYGXKN-UHFFFAOYSA-N
MW315.44 g/mol
LogP-0.13
Rot. Bonds8

About 1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide

1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 106094798) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide
PubChem CID106094798
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCNCCCn1cc(S(=O)(=O)NCC2CCCN2C)cn1
InChIInChI=1S/C13H25N5O2S/c1-14-6-4-8-18-11-13(10-15-18)21(19,20)16-9-12-5-3-7-17(12)2/h10-12,14,16H,3-9H2,1-2H3
InChIKeyWMXBHCWYUYGXKN-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
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-aminopropyl)-N-[(1-methylpiperidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106051046
3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 106019277
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075263
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
1-[3-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018228
1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 106077484
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 106071539
5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2-sulfonamide
CID 106094867
2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid
CID 43511064
N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide (CID 106094798) is 1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide is CNCCCn1cc(S(=O)(=O)NCC2CCCN2C)cn1.
What is the InChIKey of 1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is WMXBHCWYUYGXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-14-6-4-8-18-11-13(10-15-18)21(19,20)16-9-12-5-3-7-17(12)2/h10-12,14,16H,3-9H2,1-2H3.
What are the key properties of 1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide?
1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of -0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106094798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).