[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone

C21H21F3N4O2S — CID 166359098

IUPAC[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1ccccc1-n1cc(O)c(C(=O)N2CCCC(c3nc(C(F)(F)F)cs3)C2)n1
InChIInChI=1S/C21H21F3N4O2S/c1-2-13-6-3-4-8-15(13)28-11-16(29)18(26-28)20(30)27-9-5-7-14(10-27)19-25-17(12-31-19)21(22,23)24/h3-4,6,8,11-12,14,29H,2,5,7,9-10H2,1H3
InChIKeyRUFHANOLVQWPRM-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.64
Rot. Bonds4

About [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone

[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 166359098) has the molecular formula C21H21F3N4O2S and a molecular weight of 450.49 g/mol. Its IUPAC name is [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
PubChem CID166359098
Molecular FormulaC21H21F3N4O2S
Molecular Weight450.49 g/mol
Exact Mass450.13
IUPAC Name[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1ccccc1-n1cc(O)c(C(=O)N2CCCC(c3nc(C(F)(F)F)cs3)C2)n1
InChIInChI=1S/C21H21F3N4O2S/c1-2-13-6-3-4-8-15(13)28-11-16(29)18(26-28)20(30)27-9-5-7-14(10-27)19-25-17(12-31-19)21(22,23)24/h3-4,6,8,11-12,14,29H,2,5,7,9-10H2,1H3
InChIKeyRUFHANOLVQWPRM-UHFFFAOYSA-N
XLogP4.64
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
CID 118741514
2-pyrazolo[1,5-a]pyridin-3-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 146092918
[1-tert-butyl-3-(2-chlorophenyl)pyrazol-4-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 146136492
5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119947546
(3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 124595799
(2-aminophenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119946973
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 95768074
[1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
CID 26080815
(5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779103
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95767942
(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86946887

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (CID 166359098) is [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is CCc1ccccc1-n1cc(O)c(C(=O)N2CCCC(c3nc(C(F)(F)F)cs3)C2)n1.
What is the InChIKey of [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is RUFHANOLVQWPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2S/c1-2-13-6-3-4-8-15(13)28-11-16(29)18(26-28)20(30)27-9-5-7-14(10-27)19-25-17(12-31-19)21(22,23)24/h3-4,6,8,11-12,14,29H,2,5,7,9-10H2,1H3.
What are the key properties of [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 450.49 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 166359098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).