1-(2-Hydroxyethyl)-3-[3-(2,2,2-trifluoroethyl)thioureido]pyrazole

HCID 54373978
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Basic information

Standard SMILES
OCCn1ccc(NC(=S)NCC(F)(F)F)n1
InChIKey
UVEJDIDFYXOABQ-UHFFFAOYSA-N
Molecular formula
C8H11F3N4OS
Average molar mass
268.26 g/mol
Monoisotopic mass
268.06056665

Names & identifiers

Preferred name
1-(2-Hydroxyethyl)-3-[3-(2,2,2-trifluoroethyl)thioureido]pyrazole
IUPAC
1-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)thiourea

Names & synonyms

1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethyl)thioureido]pyrazoleSCHEMBL10566193

Database identifiers

PubChem CID
54373978

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
94.2 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
17

Related reactions

6 records
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Compound notes

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