cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone

C25H28FN3O2 — CID 151173158

IUPACcyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(O)(CC2CC=NN2c2cccc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C25H28FN3O2/c26-21-8-6-18(7-9-21)20-2-1-3-22(16-20)29-23(10-13-27-29)17-25(31)11-14-28(15-12-25)24(30)19-4-5-19/h1-3,6-9,13,16,19,23,31H,4-5,10-12,14-15,17H2
InChIKeyNCSFKUPIQOHPRD-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.21
Rot. Bonds5

About cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone

cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone (PubChem CID 151173158) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone
PubChem CID151173158
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Namecyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(O)(CC2CC=NN2c2cccc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C25H28FN3O2/c26-21-8-6-18(7-9-21)20-2-1-3-22(16-20)29-23(10-13-27-29)17-25(31)11-14-28(15-12-25)24(30)19-4-5-19/h1-3,6-9,13,16,19,23,31H,4-5,10-12,14-15,17H2
InChIKeyNCSFKUPIQOHPRD-UHFFFAOYSA-N
XLogP4.21
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-hydroxy-4-[[2-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 150877264
cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799362
cyclopropyl-[4-hydroxy-4-[[2-[3-(2-methyl-4-pyrazol-1-ylphenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799306
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
cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
CID 142799551
cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
CID 142799365
cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799352
cyclopropyl-[4-[[2-[4-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone
CID 142799492
[4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone
CID 142799328
[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-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 142799537
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121457085

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone (CID 151173158) is cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone is O=C(C1CC1)N1CCC(O)(CC2CC=NN2c2cccc(-c3ccc(F)cc3)c2)CC1.
What is the InChIKey of cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is NCSFKUPIQOHPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c26-21-8-6-18(7-9-21)20-2-1-3-22(16-20)29-23(10-13-27-29)17-25(31)11-14-28(15-12-25)24(30)19-4-5-19/h1-3,6-9,13,16,19,23,31H,4-5,10-12,14-15,17H2.
What are the key properties of cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone?
cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 421.52 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 151173158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).