Chemical Components in the PDB

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YDG : Summary

Code

YDG

One-letter code

X

Molecule name

N,N-dimethyl-2-(1H-pyrazol-1-yl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N-dimethyl-2-(1H-pyrazol-1-yl)acetamide
OpenEye OEToolkits 2.0.7 ~{N},~{N}-dimethyl-2-pyrazol-1-yl-ethanamide

Formula

C7 H11 N3 O

Formal charge

0

Molecular weight

153.182 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Cn1cccn1)N(C)C
SMILES CACTVS 3.385 CN(C)C(=O)Cn1cccn1
SMILES OpenEye OEToolkits 2.0.7 CN(C)C(=O)Cn1cccn1
Canonical SMILES CACTVS 3.385 CN(C)C(=O)Cn1cccn1
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(C)C(=O)Cn1cccn1

IUPAC InChI

InChI=1S/C7H11N3O/c1-9(2)7(11)6-10-5-3-4-8-10/h3-5H,6H2,1-2H3

IUPAC InChI key

HTIDWWCOZGRQRN-UHFFFAOYSA-N
YDG

wwPDB Information

Atom count

22 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-01-25

Last modified at

2023-02-10

Status

Released

Obsoleted

Not Assigned