[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone

C15H21F3N4O2 — CID 95758998

IUPAC[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCn1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C15H21F3N4O2/c1-20-9-10(13(19-20)15(16,17)18)14(24)22-7-5-21(6-8-22)11-3-2-4-12(11)23/h9,11-12,23H,2-8H2,1H3/t11-,12+/m1/s1
InChIKeyBQKYEIIVTFELIY-NEPJUHHUSA-N
MW346.35 g/mol
LogP1.11
Rot. Bonds2

About [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone

[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone (PubChem CID 95758998) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
PubChem CID95758998
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCn1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C15H21F3N4O2/c1-20-9-10(13(19-20)15(16,17)18)14(24)22-7-5-21(6-8-22)11-3-2-4-12(11)23/h9,11-12,23H,2-8H2,1H3/t11-,12+/m1/s1
InChIKeyBQKYEIIVTFELIY-NEPJUHHUSA-N
XLogP1.11
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95589917
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 111561271
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95292687
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95341824
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 56814513
2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131687382
(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759044
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 96500622
(3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 97010440
(7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96996651
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 95759043
(4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
The IUPAC name of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone (CID 95758998) is [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
The canonical SMILES for [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone is Cn1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)n1.
What is the InChIKey of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
The InChIKey is BQKYEIIVTFELIY-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-20-9-10(13(19-20)15(16,17)18)14(24)22-7-5-21(6-8-22)11-3-2-4-12(11)23/h9,11-12,23H,2-8H2,1H3/t11-,12+/m1/s1.
What are the key properties of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone has a molecular weight of 346.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 95758998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).