[4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone

C23H24F3N3O2 — CID 142799537

IUPAC[4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(O)(CC2CC=NN2c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H24F3N3O2/c24-23(25,26)18-6-8-19(9-7-18)29-20(10-13-27-29)16-22(31)11-14-28(15-12-22)21(30)17-4-2-1-3-5-17/h1-9,13,20,31H,10-12,14-16H2
InChIKeyHNMPGPZHIAQYIP-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.33
Rot. Bonds4

About [4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone

[4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone (PubChem CID 142799537) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is [4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone
PubChem CID142799537
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name[4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(O)(CC2CC=NN2c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H24F3N3O2/c24-23(25,26)18-6-8-19(9-7-18)29-20(10-13-27-29)16-22(31)11-14-28(15-12-22)21(30)17-4-2-1-3-5-17/h1-9,13,20,31H,10-12,14-16H2
InChIKeyHNMPGPZHIAQYIP-UHFFFAOYSA-N
XLogP4.33
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 142799496
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 131702366
[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 126798262
[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone
CID 42705379
[4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 142799390
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
[4-(4-ethylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113075921
phenyl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 171778996
[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 37092246
2-phenoxy-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 110364837
1'-[4-(trifluoromethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618118
cyclopropyl-[4-hydroxy-4-[[2-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799310

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone (CID 142799537) is [4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(O)(CC2CC=NN2c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is HNMPGPZHIAQYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c24-23(25,26)18-6-8-19(9-7-18)29-20(10-13-27-29)16-22(31)11-14-28(15-12-22)21(30)17-4-2-1-3-5-17/h1-9,13,20,31H,10-12,14-16H2.
What are the key properties of [4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone?
[4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 431.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 142799537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).