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

C11H19F3N4O2S — CID 115522891

IUPAC4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C11H19F3N4O2S/c1-2-15-7-9-8-16-18-10(9)21(19,20)17-6-4-3-5-11(12,13)14/h8,15,17H,2-7H2,1H3,(H,16,18)
InChIKeyNAVMGEGPRZQDMU-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.53
Rot. Bonds9

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

4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide (PubChem CID 115522891) has the molecular formula C11H19F3N4O2S and a molecular weight of 328.36 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
PubChem CID115522891
Molecular FormulaC11H19F3N4O2S
Molecular Weight328.36 g/mol
Exact Mass328.12
IUPAC Name4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C11H19F3N4O2S/c1-2-15-7-9-8-16-18-10(9)21(19,20)17-6-4-3-5-11(12,13)14/h8,15,17H,2-7H2,1H3,(H,16,18)
InChIKeyNAVMGEGPRZQDMU-UHFFFAOYSA-N
XLogP1.53
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.53
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-(ethylaminomethyl)-N-(5-methoxypentyl)-1H-pyrazole-5-sulfonamide
CID 106092808
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
N-(5-methylhexyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115327593
N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 114267237
4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085428
4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106031009
5,5,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 115491490
4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058108
N-(2-butoxyethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106017591
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106094973

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide (CID 115522891) is 4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)NCCCCC(F)(F)F.
What is the InChIKey of 4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is NAVMGEGPRZQDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O2S/c1-2-15-7-9-8-16-18-10(9)21(19,20)17-6-4-3-5-11(12,13)14/h8,15,17H,2-7H2,1H3,(H,16,18).
What are the key properties of 4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide?
4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 328.36 g/mol, XLogP of 1.53, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 115522891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).