N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide

C8H13F3N4O2S — CID 83068322

IUPACN-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)CCCC(F)(F)F)c1N
InChIInChI=1S/C8H13F3N4O2S/c1-5-6(12)7(14-13-5)15-18(16,17)4-2-3-8(9,10)11/h2-4,12H2,1H3,(H2,13,14,15)
InChIKeyOVRJRHCGTFJDSH-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.38
Rot. Bonds5

About N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide

N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83068322) has the molecular formula C8H13F3N4O2S and a molecular weight of 286.28 g/mol. Its IUPAC name is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83068322
Molecular FormulaC8H13F3N4O2S
Molecular Weight286.28 g/mol
Exact Mass286.07
IUPAC NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)CCCC(F)(F)F)c1N
InChIInChI=1S/C8H13F3N4O2S/c1-5-6(12)7(14-13-5)15-18(16,17)4-2-3-8(9,10)11/h2-4,12H2,1H3,(H2,13,14,15)
InChIKeyOVRJRHCGTFJDSH-UHFFFAOYSA-N
XLogP1.38
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83068322) is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is Cc1[nH]nc(NS(=O)(=O)CCCC(F)(F)F)c1N.
What is the InChIKey of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is OVRJRHCGTFJDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O2S/c1-5-6(12)7(14-13-5)15-18(16,17)4-2-3-8(9,10)11/h2-4,12H2,1H3,(H2,13,14,15).
What are the key properties of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 286.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83068322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).