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- ChemComp-NUA: N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: NUA
NameName: N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide

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Chemical information

Composition
Formula: C10H15N3O / Number of atoms: 29 / Formula weight: 193.246 / Formal charge: 0
Others

5qqx

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NUA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QQX
History
Create componentMay 28, 2019
Initial releaseJul 10, 2019
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)ncc(c1)NC(=O)C2CCC2
CACTVS 3.385CCn1cc(NC(=O)C2CCC2)cn1
OpenEye OEToolkits 2.0.6CCn1cc(cn1)NC(=O)C2CCC2

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SMILES CANONICAL

CACTVS 3.385CCn1cc(NC(=O)C2CCC2)cn1
OpenEye OEToolkits 2.0.6CCn1cc(cn1)NC(=O)C2CCC2

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InChI

InChI 1.03InChI=1S/C10H15N3O/c1-2-13-7-9(6-11-13)12-10(14)8-4-3-5-8/h6-8H,2-5H2,1H3,(H,12,14)

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InChIKey

InChI 1.03UVTFDTBDFQZRHD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide
OpenEye OEToolkits 2.0.6~{N}-(1-ethylpyrazol-4-yl)cyclobutanecarboxamide

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PDB entries

Showing all 6 items

PDB-5qqx:
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PDB-5qrf:
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PDB-5rkn:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z373768900

PDB-5rm5:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z373768900

PDB-5sof:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z373768900

PDB-7gam:
PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z373768900

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