4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide

C10H20N4O2S — CID 106058193

IUPAC4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
SMILESCCCCCNS(=O)(=O)c1[nH]ncc1CNC
InChIInChI=1S/C10H20N4O2S/c1-3-4-5-6-13-17(15,16)10-9(7-11-2)8-12-14-10/h8,11,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyNTGAGMISQQBQPK-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.60
Rot. Bonds8

About 4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide

4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide (PubChem CID 106058193) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
PubChem CID106058193
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
SMILESCCCCCNS(=O)(=O)c1[nH]ncc1CNC
InChIInChI=1S/C10H20N4O2S/c1-3-4-5-6-13-17(15,16)10-9(7-11-2)8-12-14-10/h8,11,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyNTGAGMISQQBQPK-UHFFFAOYSA-N
XLogP0.60
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522942
4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058108
N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 107818708
N-(5-methylhexyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115327593
4-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-5-sulfonamide
CID 106077016
4-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-5-sulfonamide
CID 106054558
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
4-(ethylaminomethyl)-N-(5-methoxypentyl)-1H-pyrazole-5-sulfonamide
CID 106092808
4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522891
N-(2-butoxyethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106017591
N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 114267237
4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106016006

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide (CID 106058193) is 4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide is CCCCCNS(=O)(=O)c1[nH]ncc1CNC.
What is the InChIKey of 4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide?
The InChIKey is NTGAGMISQQBQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-3-4-5-6-13-17(15,16)10-9(7-11-2)8-12-14-10/h8,11,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide?
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106058193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).