1,3-Dimethylpyrazole

CAT: 0024-sc-208776Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-208776Size:1 g

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CAS Number

694-48-4

Chemical Information

1H-Pyrazole, 1,3-dimethyl-

CAS Number	694-48-4
PubChem CID	79096
IUPAC Name	1,3-dimethylpyrazole
Molecular Formula	C5H8N2
Molecular Weight	96.13
XLogP	0.6
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	63

SMILES

CC1=NN(C=C1)C

InChI

InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3

InChIKey

NODLZCJDRXTSJO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 694-48-4

CID: 79096

Formula: C5H8N2

MW: 96.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	96.13
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	96.068748264
Monoisotopic Mass	96.068748264
Topological Polar Surface Area	17.8 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-209707A	3,4-Dimethylpyrazole
sc-238701	3,5-Dimethylpyrazole
sc-472416	1-Allyl-3,5-dimethylpyrazole
sc-391495	3-Amino-1,4-dimethylpyrazole
sc-232140	3,5-Dimethylpyrazole-1-methanol
sc-209707	3,4-Dimethylpyrazole
sc-498056	3,5-Dimethylpyrazole Phosphate
sc-206706	3,4-Dimethylpyrazole Phosphate
sc-226536	4-Bromo-3,5-dimethylpyrazole
sc-498059	3,4-Dimethylpyrazole Phosphate-13C

Catalog	Name
TRC-D415410-10G	Mixture of (1,3-Dimethylpyrazole + 1,5-Dimethylpyrazole)
T40807-01	1,3-Dimethylpyrazole
HY-W002168R	1,3-Dimethylpyrazole (Standard)
TRC-D415413-100MG	Mixture of (1,3-Dimethylpyrazole-D3 + 1,5-Dimethylpyrazole-D3)
233821-01	5-Amino-1,3-dimethylpyrazole
OR910091-01	4-Bromo-1,3-dimethylpyrazole
002178	3-Amino-1,4-dimethylpyrazole
D44580-01	3 5-Dimethylpyrazole-1-carbinol
D44590-01	3 5-Dimethylpyrazole-1-Carboxamide
272734-01	3,4-Dimethylpyrazole