[1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone

C23H20F3N3O3 — CID 26080815

IUPAC[1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)CC1
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)17-8-4-5-9-18(17)29-14-19(30)20(27-29)22(32)28-12-10-16(11-13-28)21(31)15-6-2-1-3-7-15/h1-9,14,16,30H,10-13H2
InChIKeyNSSDQHXAZLZKIT-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.33
Rot. Bonds4

About [1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone

[1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone (PubChem CID 26080815) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is [1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
PubChem CID26080815
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name[1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)CC1
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)17-8-4-5-9-18(17)29-14-19(30)20(27-29)22(32)28-12-10-16(11-13-28)21(31)15-6-2-1-3-7-15/h1-9,14,16,30H,10-13H2
InChIKeyNSSDQHXAZLZKIT-UHFFFAOYSA-N
XLogP4.33
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 54725649
CID 54725649
[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
CID 118741514
N'-(2,3-dihydro-1,4-dioxine-5-carbonyl)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide
CID 17476187
[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 17445120
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 122106252
N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide
CID 37019588
1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133856
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088
(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone
CID 126788191
[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 166359098
(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542663
N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide
CID 112819537

Frequently Asked Questions

What is the IUPAC name of [1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone (CID 26080815) is [1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)CC1.
What is the InChIKey of [1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is NSSDQHXAZLZKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c24-23(25,26)17-8-4-5-9-18(17)29-14-19(30)20(27-29)22(32)28-12-10-16(11-13-28)21(31)15-6-2-1-3-7-15/h1-9,14,16,30H,10-13H2.
What are the key properties of [1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone?
[1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 443.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 26080815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).