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- ChemComp-FMQ: [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol -

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Basic information

EntryDatabase: PDB chemical components / ID: FMQ
NameName: [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol

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Chemical information

Composition
Formula: C11H11FN2O / Number of atoms: 26 / Formula weight: 206.216 / Formal charge: 0
Others

3vqe

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FMQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3VQE
History
Create componentMar 28, 2012
Initial releaseJan 25, 2013
External linksUniChem / ChemSpider / 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 12.01Fc1ccc(cc1)n2ncc(c2C)CO
CACTVS 3.370Cc1n(ncc1CO)c2ccc(F)cc2
OpenEye OEToolkits 1.7.6Cc1c(cnn1c2ccc(cc2)F)CO

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SMILES CANONICAL

CACTVS 3.370Cc1n(ncc1CO)c2ccc(F)cc2
OpenEye OEToolkits 1.7.6Cc1c(cnn1c2ccc(cc2)F)CO

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InChI

InChI 1.03InChI=1S/C11H11FN2O/c1-8-9(7-15)6-13-14(8)11-4-2-10(12)3-5-11/h2-6,15H,7H2,1H3

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InChIKey

InChI 1.03QJPGMVFNIWHOIY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
OpenEye OEToolkits 1.7.6[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]methanol

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PDB entries

Showing all 4 items

PDB-3vqe:
HIV-1 IN core domain in complex with [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol

PDB-4ifv:
Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening

PDB-7hap:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13088

PDB-8dxi:
HIV-1 reverse transcriptase/rilpivirine with bound fragment [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol at multiple sites

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