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4-Methylpyrazole

CAT: 0926-FM36058-04Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-FM36058-04Size:0.5 Kg
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CAS Number
7554-65-6
Synonyms
Fomepizole
MDL Number
MFCD00005245
Smiles
CC1=CNN=C1
Molecular Formula
C4H6N2
Molecular Weight
82.1 g/mol
Controlled
No

Chemical Information

4-Methylpyrazole

Fomepizole is a member of the class of pyrazoles that is 1H-pyrazole substituted by a methyl group at position 4. It has a role as an antidote, a protective agent and an EC 1.1.1.1 (alcohol dehydrogenase) inhibitor. It derives from a hydride of a 1H-pyrazole.

CAS Number7554-65-6
PubChem CID3406
IUPAC Name4-methyl-1H-pyrazole
Molecular FormulaC4H6N2
Molecular Weight82.10
XLogP1.4
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity44
SMILES
CC1=CNN=C1
InChI
InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
InChIKey
RIKMMFOAQPJVMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylpyrazole
CAS: 7554-65-6
CID: 3406
Formula: C4H6N2
MW: 82.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight82.10
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass82.053098200
Monoisotopic Mass82.053098200
Topological Polar Surface Area28.7 Ų
Heavy Atom Count6
Formal Charge0
Complexity44.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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