2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole

C10H9F3N4S — CID 82587066

IUPAC2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1nn(-c2nccs2)c2c1CNCC2
InChIInChI=1S/C10H9F3N4S/c11-10(12,13)8-6-5-14-2-1-7(6)17(16-8)9-15-3-4-18-9/h3-4,14H,1-2,5H2
InChIKeyKUQNHUJXAXIRLL-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.99
Rot. Bonds1

About 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole

2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (PubChem CID 82587066) has the molecular formula C10H9F3N4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
PubChem CID82587066
Molecular FormulaC10H9F3N4S
Molecular Weight274.27 g/mol
Exact Mass274.05
IUPAC Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1nn(-c2nccs2)c2c1CNCC2
InChIInChI=1S/C10H9F3N4S/c11-10(12,13)8-6-5-14-2-1-7(6)17(16-8)9-15-3-4-18-9/h3-4,14H,1-2,5H2
InChIKeyKUQNHUJXAXIRLL-UHFFFAOYSA-N
XLogP1.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methyl]-1,3-thiazol-2-amine
CID 97404956
2-methyl-N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267395
N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267474
5-[1-(1,3-Thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine
CID 118016478
3-Methyl-2-thiazol-2-yl-4,5,6,7-tetrahydro-2h-indazole
CID 129827968
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 17476772
2-[3-(3-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
CID 82587759
2-[3-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
CID 82587826
2-[3-[(4-Fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
CID 82587964
2-[3-(3,4-Difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
CID 82588063
2-[3-(3,5-Difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
CID 82588492
2-[3-(2,4-Difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
CID 82588516

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (CID 82587066) is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is FC(F)(F)c1nn(-c2nccs2)c2c1CNCC2.
What is the InChIKey of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The InChIKey is KUQNHUJXAXIRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4S/c11-10(12,13)8-6-5-14-2-1-7(6)17(16-8)9-15-3-4-18-9/h3-4,14H,1-2,5H2.
What are the key properties of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole has a molecular weight of 274.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is sourced from PubChem (CID 82587066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).