N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C10H16F3N3O2S — CID 54876999

IUPACN-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H16F3N3O2S/c1-3-8(4-2)16(7-10(11,12)13)19(17,18)9-5-14-15-6-9/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyOEMNDUZZBMLFQF-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.15
Rot. Bonds6

About N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54876999) has the molecular formula C10H16F3N3O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54876999
Molecular FormulaC10H16F3N3O2S
Molecular Weight299.32 g/mol
Exact Mass299.09
IUPAC NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H16F3N3O2S/c1-3-8(4-2)16(7-10(11,12)13)19(17,18)9-5-14-15-6-9/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyOEMNDUZZBMLFQF-UHFFFAOYSA-N
XLogP2.15
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 54876999) is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is OEMNDUZZBMLFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2S/c1-3-8(4-2)16(7-10(11,12)13)19(17,18)9-5-14-15-6-9/h5-6,8H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 299.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54876999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).