3,4-Dimethylpyrazole

CAT: 0024-sc-209707Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-209707Size:1 g

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CAS Number

2820-37-3

Chemical Information

3,4-dimethyl-1H-pyrazole

3,4-dimethyl-1H-pyrazole is a member of the class of pyrazoles that is 1H-pyrazole which is substituted by methyl groups at positions 3 and 4.

CAS Number	2820-37-3
PubChem CID	137735
IUPAC Name	4,5-dimethyl-1H-pyrazole
Molecular Formula	C5H8N2
Molecular Weight	96.13
XLogP	1
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	63

SMILES

CC1=C(NN=C1)C

InChI

InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3H,1-2H3,(H,6,7)

InChIKey

VQTVFIMEENGCJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2820-37-3

CID: 137735

Formula: C5H8N2

MW: 96.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	96.13
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	96.068748264
Monoisotopic Mass	96.068748264
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	63.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-226536	4-Bromo-3,5-dimethylpyrazole
sc-391495	3-Amino-1,4-dimethylpyrazole
sc-206806	4-Amino-1,3-dimethylpyrazole
sc-208776	1,3-Dimethylpyrazole
sc-238701	3,5-Dimethylpyrazole
sc-281371	4- (2-Carboxyphenyl) -3,5-dimethylpyrazole
sc-498056	3,5-Dimethylpyrazole Phosphate
sc-315983	4-Bromo-1,3-dimethylpyrazole-5-carbohydrazide
sc-357621	3,5-Dimethylpyrazole-4-boronic acid hydrochloride
sc-357621A	3,5-Dimethylpyrazole-4-boronic acid hydrochloride

Catalog	Name
272734-01	3,4-Dimethylpyrazole
TRC-D478960-1G	3,4-Dimethylpyrazole Phosphate
HY-W019334-01	3,4-Dimethylpyrazole (phosphate)
431063-01	4-Bromo-3,5-dimethylpyrazole
OR910091-01	4-Bromo-1,3-dimethylpyrazole
TRC-D478962-50MG	3,4-Dimethylpyrazole Phosphate-13C
002178	3-Amino-1,4-dimethylpyrazole
259132-01	4-Amino-1,3-dimethylpyrazole
OR350149-01	1,4-Dimethylpyrazole
OR50953-01	1,3-Dimethylpyrazole-4-carbohydrazide