5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C9H15F3N4O2S — CID 61106241

IUPAC5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H15F3N4O2S/c1-2-3-4-16(6-9(10,11)12)19(17,18)7-5-14-15-8(7)13/h5H,2-4,6H2,1H3,(H3,13,14,15)
InChIKeyZGFVUNMNFVNQKX-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.35
Rot. Bonds6

About 5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61106241) has the molecular formula C9H15F3N4O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID61106241
Molecular FormulaC9H15F3N4O2S
Molecular Weight300.31 g/mol
Exact Mass300.09
IUPAC Name5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H15F3N4O2S/c1-2-3-4-16(6-9(10,11)12)19(17,18)7-5-14-15-8(7)13/h5H,2-4,6H2,1H3,(H3,13,14,15)
InChIKeyZGFVUNMNFVNQKX-UHFFFAOYSA-N
XLogP1.35
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(trifluoromethylsulfonyl)-1H-pyrazol-5-amine
CID 145843012
5-Aminopyrazol-4-sulfonamide
CID 60814684
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268117
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268215
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268216
5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 55006557
5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 55006938
3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006939
3-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006940
5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60809737
3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809900
5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60892505

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 61106241) is 5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ZGFVUNMNFVNQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S/c1-2-3-4-16(6-9(10,11)12)19(17,18)7-5-14-15-8(7)13/h5H,2-4,6H2,1H3,(H3,13,14,15).
What are the key properties of 5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 300.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61106241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).