1,3-Dimethyl-5-iodopyrazole

CAT: 0926-KDA77998Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-KDA77998Size:2.5 g

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CAS Number

85779-98-2

MDL Number

MFCD09743720

Smiles

CC1=NN (C (=C1) I) C

Molecular Formula

C5H7IN2

Molecular Weight

222.03 g/mol

Controlled

Chemical Information

1,3-Dimethyl-5-iodopyrazole

CAS Number	85779-98-2
PubChem CID	13070796
IUPAC Name	5-iodo-1,3-dimethylpyrazole
Molecular Formula	C5H7IN2
Molecular Weight	222.03
XLogP	1.3
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	86

SMILES

CC1=NN(C(=C1)I)C

InChI

InChI=1S/C5H7IN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3

InChIKey

AEXAZEZTTPOFKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 85779-98-2

CID: 13070796

Formula: C5H7IN2

MW: 222.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.03
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	221.96540
Monoisotopic Mass	221.96540
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	86.5
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
SFC27429-01	1-Ethyl-5-iodopyrazole
AAA87298	5,5-Dimethyl-1,3-dioxane
FD02625-01	5,5-Dimethyl-1,3-cyclohexanedione
FD06026-01	3,5-Dimethyl-1-nitroadamantane
FD22306-01	1,3-Dimethyl-5-pyrazolone
MDA12206-01	1,3-Dimethyl 5-oxocyclohexane-1,3-dicarboxylate
FD03175-01	3,5-Dimethyl-1-hexyn-3-ol
FDA46690-01	Dimethyl-1,3-thiazole-5-sulfonamide
FC01187	1-Chloro-3,5-dimethyl adamantane
FGA60920-01	Perfluoro (1,3-dimethyl-5-ethylcyclohexane)

Catalog	Name
sc-304055	1,3-Dimethyl-5-iodopyrazole
OR307307-01	3-Bromo-5-iodopyrazole
OR1067385-01	1-Ethyl-5-iodopyrazole
sc-299072	3-Iodopyrazole
1202781-34-7	1-Ethyl-3-iodopyrazole
280718-01	4-Iodopyrazole
sc-229774	1-Boc-4-iodopyrazole
OR51190	4-Amino-3-iodopyrazole hydrochloride
270707-01	5,5-Dimethyl-1,3-cyclohexanedione
TRC-D890803-500MG	5,5-Dimethyl-1,3-dioxane