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

C13H24N4O2S — CID 106016868

IUPAC4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1[nH]ncc1CNC1CC1
InChIInChI=1S/C13H24N4O2S/c1-10(2)4-3-7-16-20(18,19)13-11(9-15-17-13)8-14-12-5-6-12/h9-10,12,14,16H,3-8H2,1-2H3,(H,15,17)
InChIKeyGBBGZOUJIIBGRZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.38
Rot. Bonds9

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

4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106016868) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide
PubChem CID106016868
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1[nH]ncc1CNC1CC1
InChIInChI=1S/C13H24N4O2S/c1-10(2)4-3-7-16-20(18,19)13-11(9-15-17-13)8-14-12-5-6-12/h9-10,12,14,16H,3-8H2,1-2H3,(H,15,17)
InChIKeyGBBGZOUJIIBGRZ-UHFFFAOYSA-N
XLogP1.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.38
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-[(cyclopropylamino)methyl]-N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide
CID 106059009
4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058108
4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106028316
N-(5-methylhexyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115327593
4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide
CID 107818591
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
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
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
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106070970

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide (CID 106016868) is 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide is CC(C)CCCNS(=O)(=O)c1[nH]ncc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is GBBGZOUJIIBGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-10(2)4-3-7-16-20(18,19)13-11(9-15-17-13)8-14-12-5-6-12/h9-10,12,14,16H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide?
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.38, 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-(4-methylpentyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106016868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).