(1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C18H20F3N3O2 — CID 56910663

IUPAC(1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cn1
InChIInChI=1S/C18H20F3N3O2/c1-2-24-12-13(11-22-24)16(25)23-8-6-17(26,7-9-23)14-4-3-5-15(10-14)18(19,20)21/h3-5,10-12,26H,2,6-9H2,1H3
InChIKeyTZHNNOUFZRUZGX-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.05
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 56910663) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID56910663
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name(1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cn1
InChIInChI=1S/C18H20F3N3O2/c1-2-24-12-13(11-22-24)16(25)23-8-6-17(26,7-9-23)14-4-3-5-15(10-14)18(19,20)21/h3-5,10-12,26H,2,6-9H2,1H3
InChIKeyTZHNNOUFZRUZGX-UHFFFAOYSA-N
XLogP3.05
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 56904857
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56912424
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 70767483
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56898774
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 72885433
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
(4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 44755671
(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 95897796
[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 24968768
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 56901291

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 56910663) is (1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is CCn1cc(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is TZHNNOUFZRUZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-2-24-12-13(11-22-24)16(25)23-8-6-17(26,7-9-23)14-4-3-5-15(10-14)18(19,20)21/h3-5,10-12,26H,2,6-9H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 367.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56910663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).