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3,5-Dimethyl-1H-pyrazole

CAT: 0013-GTR19254773-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254773-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3,5-Dimethyl-1H-pyrazole is a pyrazole derivative widely used in biochemical experiments and drug synthesis research.
CAS Number
67-51-6
Purity
99.73% (May vary between batches)
Smiles
N=1NC (=CC1C) C
Molecular Formula
C5H8N2
Molecular Weight
96.13
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

3,5-Dimethylpyrazole

3,5-Dimethylpyrazole is a member of pyrazoles.

CAS Number67-51-6
PubChem CID6210
IUPAC Name3,5-dimethyl-1H-pyrazole
Molecular FormulaC5H8N2
Molecular Weight96.13
XLogP1
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity63
SMILES
CC1=CC(=NN1)C
InChI
InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)
InChIKey
SDXAWLJRERMRKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethylpyrazole
CAS: 67-51-6
CID: 6210
Formula: C5H8N2
MW: 96.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.13
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass96.068748264
Monoisotopic Mass96.068748264
Topological Polar Surface Area28.7 Ų
Heavy Atom Count7
Formal Charge0
Complexity63.1
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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