3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine

C8H10F3N3S — CID 151289970

IUPAC3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine
SMILESFC(F)(F)c1ccn(CN2CCSC2)n1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)7-1-2-14(12-7)5-13-3-4-15-6-13/h1-2H,3-6H2
InChIKeyOAFMQXVFIIBQCS-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.87
Rot. Bonds2

About 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine

3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine (PubChem CID 151289970) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine
PubChem CID151289970
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine
SMILESFC(F)(F)c1ccn(CN2CCSC2)n1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)7-1-2-14(12-7)5-13-3-4-15-6-13/h1-2H,3-6H2
InChIKeyOAFMQXVFIIBQCS-UHFFFAOYSA-N
XLogP1.87
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole
CID 116621384
6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56821476
1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine
CID 154541150
(4-methylphenyl)-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-yl]methanone
CID 86860778
trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide
CID 63702049
1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809229
1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole
CID 115761326
(3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone
CID 56821475
1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 112560244
N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide
CID 162571080
1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole
CID 116621367
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine?
The IUPAC name of 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine (CID 151289970) is 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine.
What is the SMILES notation for 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine?
The canonical SMILES for 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine is FC(F)(F)c1ccn(CN2CCSC2)n1.
What is the InChIKey of 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine?
The InChIKey is OAFMQXVFIIBQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c9-8(10,11)7-1-2-14(12-7)5-13-3-4-15-6-13/h1-2H,3-6H2.
What are the key properties of 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine?
3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine has a molecular weight of 237.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine is sourced from PubChem (CID 151289970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).