chempirical

2-(((5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H17F3N4O2SCAS 489408-02-8386.39 g/mol

Open in Covalent MOL file
NNOHNSOH2NFFF
Alkyl halideAmide

Properties

Molecular formula
C16H17F3N4O2S
Molar mass
386.39 g/mol
Exact mass
386.1024 Da
logP
2.89Crippen estimate
Polar surface area
90.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
489408-02-8
SMILES
CC1=CC(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C(F)(F)F
InChIKey
PHLXSNIEQIKENK-UHFFFAOYSA-N
InChI
InChI=1S/C16H17F3N4O2S/c1-8-6-11(16(17,18)19)22-23(8)7-12(24)21-15-13(14(20)25)9-4-2-3-5-10(9)26-15/h6H,2-5,7H2,1H3,(H2,20,25)(H,21,24)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Ydl223C

Work with 2-(((5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide4815-28-537 % similar 2-Amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide77651-38-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook