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- ChemComp-UV7: N-[(1H-pyrazol-4-yl)methyl]acetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: UV7
NameName: N-[(1H-pyrazol-4-yl)methyl]acetamide

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Chemical information

Composition
Formula: C6H9N3O / Number of atoms: 19 / Formula weight: 139.155 / Formal charge: 0
Others

5rjy

Type: non-polymer / PDB classification: HETAIN / Three letter code: UV7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RJY
History
Create componentJun 2, 2020
Initial releaseJun 17, 2020
External linksUniChem / ChemSpider / PubChem / SureChEMBL / 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 12.01n1cc(cn1)CNC(C)=O
CACTVS 3.385CC(=O)NCc1c[nH]nc1
OpenEye OEToolkits 2.0.7CC(=O)NCc1c[nH]nc1

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SMILES CANONICAL

CACTVS 3.385CC(=O)NCc1c[nH]nc1
OpenEye OEToolkits 2.0.7CC(=O)NCc1c[nH]nc1

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InChI

InChI 1.03InChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9)

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InChIKey

InChI 1.03VFAFDDVJGKOBTH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[(1H-pyrazol-4-yl)methyl]acetamide
OpenEye OEToolkits 2.0.7~{N}-(1~{H}-pyrazol-4-ylmethyl)ethanamide

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PDB entries

Showing all 3 items

PDB-5rjy:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z383325512

PDB-5sng:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z383325512

PDB-7hky:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z383325512 (DNV2_NS5A-x0829)

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