4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide

C10H17F3N4O2S — CID 115522942

IUPAC4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C10H17F3N4O2S/c1-14-6-8-7-15-17-9(8)20(18,19)16-5-3-2-4-10(11,12)13/h7,14,16H,2-6H2,1H3,(H,15,17)
InChIKeyARMMNMTUENBJNO-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.14
Rot. Bonds8

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

4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide (PubChem CID 115522942) has the molecular formula C10H17F3N4O2S and a molecular weight of 314.33 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
PubChem CID115522942
Molecular FormulaC10H17F3N4O2S
Molecular Weight314.33 g/mol
Exact Mass314.10
IUPAC Name4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C10H17F3N4O2S/c1-14-6-8-7-15-17-9(8)20(18,19)16-5-3-2-4-10(11,12)13/h7,14,16H,2-6H2,1H3,(H,15,17)
InChIKeyARMMNMTUENBJNO-UHFFFAOYSA-N
XLogP1.14
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.14
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-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522891
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
4-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-5-sulfonamide
CID 106077016
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
4-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-5-sulfonamide
CID 106054558
N-(5-methylhexyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115327593
4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106016006
N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106086739
4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058108
4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide
CID 107818591
N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106090960
N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 107818708

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide (CID 115522942) is 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)NCCCCC(F)(F)F.
What is the InChIKey of 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ARMMNMTUENBJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2S/c1-14-6-8-7-15-17-9(8)20(18,19)16-5-3-2-4-10(11,12)13/h7,14,16H,2-6H2,1H3,(H,15,17).
What are the key properties of 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide?
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 314.33 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 115522942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).