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- ChemComp-UWG: (1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: UWG
NameName: (1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol

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Chemical information

Composition
Formula: C10H16N2O / Number of atoms: 29 / Formula weight: 180.247 / Formal charge: 0
Others

5rkb

Type: non-polymer / PDB classification: HETAIN / Three letter code: UWG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RKB
History
Create componentJun 2, 2020
Initial releaseJun 17, 2020
External linksUniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01n1(cc(C(C)O)cn1)C2CCCC2
CACTVS 3.385C[CH](O)c1cnn(c1)C2CCCC2
OpenEye OEToolkits 2.0.7CC(c1cnn(c1)C2CCCC2)O

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SMILES CANONICAL

CACTVS 3.385C[C@H](O)c1cnn(c1)C2CCCC2
OpenEye OEToolkits 2.0.7C[C@@H](c1cnn(c1)C2CCCC2)O

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InChI

InChI 1.03InChI=1S/C10H16N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3/t8-/m0/s1

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InChIKey

InChI 1.03TUZCKTQECDPISK-QMMMGPOBSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol
OpenEye OEToolkits 2.0.7(1~{S})-1-(1-cyclopentylpyrazol-4-yl)ethanol

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PDB entries

Showing all 1 items

PDB-5rkb:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z2004563941

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