Chemical Components in the PDB

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UVY : Summary

Code

UVY

One-letter code

X

Molecule name

2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol
OpenEye OEToolkits 2.0.7 2-(1-ethylpyrazol-4-yl)ethanol

Formula

C7 H12 N2 O

Formal charge

0

Molecular weight

140.183 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1cc(CCO)cn1CC
SMILES CACTVS 3.385 CCn1cc(CCO)cn1
SMILES OpenEye OEToolkits 2.0.7 CCn1cc(cn1)CCO
Canonical SMILES CACTVS 3.385 CCn1cc(CCO)cn1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCn1cc(cn1)CCO

IUPAC InChI

InChI=1S/C7H12N2O/c1-2-9-6-7(3-4-10)5-8-9/h5-6,10H,2-4H2,1H3

IUPAC InChI key

GQXSHPZGPIOSHQ-UHFFFAOYSA-N
UVY

wwPDB Information

Atom count

22 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-06-02

Last modified at

2020-06-12

Status

Released

Obsoleted

Not Assigned