[4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol

C20H33F2N3O2 — CID 123140818

IUPAC[4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCCc1cc(C2CCN(C(O)OC(C)(C)C)CC2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C20H33F2N3O2/c1-5-15-12-17(25(23-15)16-6-9-20(21,22)13-16)14-7-10-24(11-8-14)18(26)27-19(2,3)4/h12,14,16,18,26H,5-11,13H2,1-4H3
InChIKeyUZYWHSMSFQHTDL-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.08
Rot. Bonds5

About [4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol

[4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 123140818) has the molecular formula C20H33F2N3O2 and a molecular weight of 385.50 g/mol. Its IUPAC name is [4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name[4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID123140818
Molecular FormulaC20H33F2N3O2
Molecular Weight385.50 g/mol
Exact Mass385.25
IUPAC Name[4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCCc1cc(C2CCN(C(O)OC(C)(C)C)CC2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C20H33F2N3O2/c1-5-15-12-17(25(23-15)16-6-9-20(21,22)13-16)14-7-10-24(11-8-14)18(26)27-19(2,3)4/h12,14,16,18,26H,5-11,13H2,1-4H3
InChIKeyUZYWHSMSFQHTDL-UHFFFAOYSA-N
XLogP4.08
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(1-(3,3-difluorocyclopentyl)-3-iodo-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 90292736
4-[2-(3,3-Difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine
CID 123519965
Tert-butyl 6-[3-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123701836
Tert-butyl 4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]piperidine-1-carboxylate
CID 126489532
Tert-butyl 4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]piperidine-1-carboxylate;ethane
CID 144669791
4-[2-(3,3-Difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane
CID 144669810
Tert-butyl 4-[[1-(4,4-difluorocyclohexyl)-5-methylpyrazol-3-yl]methyl]azepane-1-carboxylate
CID 176921501
Tert-butyl 4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 11588281
1-(tert-Butoxycarbonyl)-4-(1,3-diethyl-(1H)-pyrazol-5-yl)piperidine
CID 23557496
Tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate
CID 123381830
Tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 123466740
[4-(3-Iodo-1-methylpyrazol-5-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 126736018

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of [4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol (CID 123140818) is [4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for [4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for [4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol is CCc1cc(C2CCN(C(O)OC(C)(C)C)CC2)n(C2CCC(F)(F)C2)n1.
What is the InChIKey of [4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is UZYWHSMSFQHTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33F2N3O2/c1-5-15-12-17(25(23-15)16-6-9-20(21,22)13-16)14-7-10-24(11-8-14)18(26)27-19(2,3)4/h12,14,16,18,26H,5-11,13H2,1-4H3.
What are the key properties of [4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
[4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 385.50 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 123140818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).