4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide

C12H22N4O2S — CID 106058108

IUPAC4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide
SMILESCCCCCNS(=O)(=O)c1[nH]ncc1CNC1CC1
InChIInChI=1S/C12H22N4O2S/c1-2-3-4-7-15-19(17,18)12-10(9-14-16-12)8-13-11-5-6-11/h9,11,13,15H,2-8H2,1H3,(H,14,16)
InChIKeyFZFRHUZKCPCXSM-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.13
Rot. Bonds9

About 4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide

4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide (PubChem CID 106058108) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide
PubChem CID106058108
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide
SMILESCCCCCNS(=O)(=O)c1[nH]ncc1CNC1CC1
InChIInChI=1S/C12H22N4O2S/c1-2-3-4-7-15-19(17,18)12-10(9-14-16-12)8-13-11-5-6-11/h9,11,13,15H,2-8H2,1H3,(H,14,16)
InChIKeyFZFRHUZKCPCXSM-UHFFFAOYSA-N
XLogP1.13
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide
CID 106016868
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
4-[(cyclopropylamino)methyl]-N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide
CID 106059009
4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106028316
4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106064942
4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106016185
N-(5-methylhexyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115327593
N-(2-butoxyethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106017591
4-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064191
4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106383916
4-[(cyclopropylamino)methyl]-N-(1,4-dithian-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106078345
3-[(cyclopropylamino)methyl]-2-methyl-N-pentylbenzenesulfonamide
CID 106058213

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide (CID 106058108) is 4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide is CCCCCNS(=O)(=O)c1[nH]ncc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide?
The InChIKey is FZFRHUZKCPCXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-2-3-4-7-15-19(17,18)12-10(9-14-16-12)8-13-11-5-6-11/h9,11,13,15H,2-8H2,1H3,(H,14,16).
What are the key properties of 4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide?
4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106058108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).