2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol

C21H29FN4O — CID 28735204

IUPAC2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(Cc2cn[nH]c2-c2cccc(F)c2)CCN1C1CCCC1
InChIInChI=1S/C21H29FN4O/c22-18-5-3-4-16(12-18)21-17(13-23-24-21)14-25-9-10-26(19-6-1-2-7-19)20(15-25)8-11-27/h3-5,12-13,19-20,27H,1-2,6-11,14-15H2,(H,23,24)/t20-/m0/s1
InChIKeyFOOQWQPOHRMMBX-FQEVSTJZSA-N
MW372.49 g/mol
LogP3.03
Rot. Bonds6

About 2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol

2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol (PubChem CID 28735204) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
PubChem CID28735204
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC Name2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(Cc2cn[nH]c2-c2cccc(F)c2)CCN1C1CCCC1
InChIInChI=1S/C21H29FN4O/c22-18-5-3-4-16(12-18)21-17(13-23-24-21)14-25-9-10-26(19-6-1-2-7-19)20(15-25)8-11-27/h3-5,12-13,19-20,27H,1-2,6-11,14-15H2,(H,23,24)/t20-/m0/s1
InChIKeyFOOQWQPOHRMMBX-FQEVSTJZSA-N
XLogP3.03
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

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CID 166300747
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CID 45233355
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol (CID 28735204) is 2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol is OCC[C@H]1CN(Cc2cn[nH]c2-c2cccc(F)c2)CCN1C1CCCC1.
What is the InChIKey of 2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol?
The InChIKey is FOOQWQPOHRMMBX-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H29FN4O/c22-18-5-3-4-16(12-18)21-17(13-23-24-21)14-25-9-10-26(19-6-1-2-7-19)20(15-25)8-11-27/h3-5,12-13,19-20,27H,1-2,6-11,14-15H2,(H,23,24)/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol?
2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol has a molecular weight of 372.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 28735204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).