Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 1Herb: 2Ingredient: 1Meta-analysis: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6228
- Core Entity Id
- 10104
- Source Entity Count
- 1
- Preferred Name
- 4-methylpyrazole
- Name En
- Pubchem Id
- 3406
- Smiles Canonical
- CC1=CNN=C1
- Molecular Formula
- C4H6N2
- Molecular Weight
- 82.1060
- Inchikey
- RIKMMFOAQPJVMX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
- Isomeric Smiles
- CC1=CNN=C1
- Cas Id
- Ob Score
- Mol Logp
- 0.7181
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Methylpyrazole
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Methylpyrazole
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-methylpyrazole
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-methylpyrazole
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-methylpyrazole
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1H-Pyrazole, 4-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Pyrazole, 4-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methyl-1H-pyrazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methyl-1H-pyrazole
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Methylpyrazol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methylpyrazol
Role
alias
Source
HERB_v2
Preferred
No
Name
7554-65-6
Role
alias
Source
HERB_v2
Preferred
No
Name
7554-65-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
Antizol
Role
alias
Source
HERB_v2
Preferred
No
Name
Antizol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fomepizol
Role
alias
Source
HERB_v2
Preferred
No
Name
Fomepizol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fomepizol [INN-Spanish]
Role
alias
Source
HERB_v2
Preferred
No
Name
Fomepizol [INN-Spanish]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fomepizolum
Role
alias
Source
HERB_v2
Preferred
No
Name
Fomepizolum
Role
alias
Source
itcmdb_public
Preferred
No
Name
fomepizole
Role
alias
Source
HERB_v2
Preferred
No
Name
fomepizole
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1H-Pyrazole, 4-methyl-4-Methyl-1H-pyrazole4-Methylpyrazol7554-65-6AntizolFomepizolFomepizol [INN-Spanish]Fomepizolumfomepizole
Cross References
Trusted external identifiers retained for this final record.
Hit
C0082
Herb
HBIN010717
Npass
NPC15826
Tcmid
35252
Sym Map
SMIT21543
Pub Chem
3406
Tcmbank
TCMBANKIN016932
Itcmdb Generated
ITX-INGREDIENT-DB04605EAAC2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
Mol Wt
82.106
Smiles
CC1=CNN=C1
Mol Log P
0.7181199999999999
Version
v2
In Ch Ikey
RIKMMFOAQPJVMX-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.49
Num Hacceptors
1
Isomeric Smiles
CC1=CNN=C1
Canonical Smiles
CC1=CNN=C1
Herb Alias Names
fomepizole4-Methyl-1H-pyrazole7554-65-6Antizol1H-Pyrazole, 4-methyl-4-MethylpyrazolFomepizolFomepizolumFomepizol [INN-Spanish]
Molecular Weight
82.1 g/mol
Molecular Formula
C4H6N2
Molecular Formula
C4H6N2
Num Rotatable Bonds
0