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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:17241 - 1
H
-pyrazole
Main
ChEBI Ontology
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ChEBI Name
1
H
-pyrazole
ChEBI ID
CHEBI:17241
ChEBI ASCII Name
1H-pyrazole
Definition
The 1
H
-tautomer of pyrazole.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:26408, CHEBI:45151, CHEBI:8658
Supplier Information
ChemicalBook:CB6689669
,
eMolecules:531205
,
ZINC000000895257
Download
Molfile
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Jmol._Canvas2D (JSmol) "jmolApplet0"
[x]
call loadScript javascripts\jsmol\core\package.js
call loadScript javascripts\jsmol\core\core.z.js -- required by ClazzNode
call loadScript javascripts\jsmol\J\awtjs2d\WebOutputChannel.js
Molfile
expand
Molfile
Formula
C3H4N2
Net Charge
0
Average Mass
68.079
Monoisotopic Mass
68.03745
InChI
InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChIKey
WTKZEGDFNFYCGP-UHFFFAOYSA-N
SMILES
N1C=CC=N1
ChEBI Ontology
Outgoing
1
H
-pyrazole (
CHEBI:17241
)
is a
pyrazole (
CHEBI:14973
)
1
H
-pyrazole (
CHEBI:17241
)
is conjugate acid of
pyrazol-1-ide (
CHEBI:30367
)
1
H
-pyrazole (
CHEBI:17241
)
is conjugate base of
pyrazolium (
CHEBI:33140
)
1
H
-pyrazole (
CHEBI:17241
)
is tautomer of
3
H
-pyrazole (
CHEBI:38595
)
1
H
-pyrazole (
CHEBI:17241
)
is tautomer of
4
H
-pyrazole (
CHEBI:38599
)
Incoming
1-phenylpyrazole (
CHEBI:38879
)
has parent hydride
1
H
-pyrazole (
CHEBI:17241
)
3-methyl-pyrazole-4-carboxylic acid (
CHEBI:74742
)
has parent hydride
1
H
-pyrazole (
CHEBI:17241
)
4-methyl-pyrazole-3-carboxylic acid (
CHEBI:74740
)
has parent hydride
1
H
-pyrazole (
CHEBI:17241
)
5-methyl-pyrazole-3-carboxylic acid (
CHEBI:74739
)
has parent hydride
1
H
-pyrazole (
CHEBI:17241
)
fenpyroximate (
CHEBI:5011
)
has parent hydride
1
H
-pyrazole (
CHEBI:17241
)
fomepizole (
CHEBI:5141
)
has parent hydride
1
H
-pyrazole (
CHEBI:17241
)
pyrazolium (
CHEBI:33140
)
is conjugate acid of
1
H
-pyrazole (
CHEBI:17241
)
pyrazol-1-ide (
CHEBI:30367
)
is conjugate base of
1
H
-pyrazole (
CHEBI:17241
)
3
H
-pyrazole (
CHEBI:38595
)
is tautomer of
1
H
-pyrazole (
CHEBI:17241
)
4
H
-pyrazole (
CHEBI:38599
)
is tautomer of
1
H
-pyrazole (
CHEBI:17241
)
IUPAC Name
1
H
-pyrazole
Synonyms
Sources
1,2-Diazole
KEGG COMPOUND
1
H
-Pyrazol
ChEBI
Hpz
IUPAC
Pyrazole
KEGG COMPOUND
PYRAZOLE
PDBeChem
pyrazole
UniProt
Manual Xrefs
Databases
C00481
KEGG COMPOUND
DB02757
DrugBank
PZO
PDBeChem
View more database links
Registry Numbers
Types
Sources
103775
Reaxys Registry Number
Reaxys
1360
Gmelin Registry Number
Gmelin
288-13-1
CAS Registry Number
KEGG COMPOUND
288-13-1
CAS Registry Number
NIST Chemistry WebBook
288-13-1
CAS Registry Number
ChemIDplus
Last Modified
22 August 2024