3- (Dimethoxymethyl) -1H-pyrazole

CAT: 0926-LEA57359-01Size: 2.5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-LEA57359-01Size:2.5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

111573-59-2

MDL Number

MFCD00085025

Smiles

COC (C1=CC=NN1) OC

Molecular Formula

C6H10N2O2

Molecular Weight

142.16 g/mol

Controlled

Chemical Information

5-(dimethoxymethyl)-1H-pyrazole

CAS Number	111573-59-2
PubChem CID	2782146
IUPAC Name	5-(dimethoxymethyl)-1H-pyrazole
Molecular Formula	C6H10N2O2
Molecular Weight	142.16
XLogP	-0.1
Topological Polar Surface Area	47.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	95

SMILES

COC(C1=CC=NN1)OC

InChI

InChI=1S/C6H10N2O2/c1-9-6(10-2)5-3-4-7-8-5/h3-4,6H,1-2H3,(H,7,8)

InChIKey

ZAZJHNVEFWBJFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111573-59-2

CID: 2782146

Formula: C6H10N2O2

MW: 142.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.16
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	142.074227566
Monoisotopic Mass	142.074227566
Topological Polar Surface Area	47.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	95.7
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
MEA65519	2- (Dimethoxymethyl) -1H-imidazole
BUA62986-01	3-Cyclobutyl-1H-pyrazole
KCA06166-01	3-Cyclohexyl-1H-pyrazole
GDD36520-01	3- (Methanesulfonylmethyl) -1H-pyrazole
FE125167-01	3-Ethyl-1H-pyrazole
XWC15884-01	1H-Pyrazole-3-sulfonamide
UGD79726-01	3- (Bromodifluoromethyl) -1H-pyrazole
FP15855-01	1H-Pyrazole
FD118797-01	3,5-Dinitro-1H-pyrazole
NBC33930-01	3,5-Dicyclopropyl-1H-pyrazole

Catalog	Name
OR27386	3- (Dimethoxymethyl) -1H-pyrazole
OR346116-01	5-Dimethoxymethyl-1-phenyl-1H-pyrazole-4-carboxylic acid methyl ester
OR1051739-01	5- (Dimethoxymethyl) -1H-1,2,4-triazole
sc-314932	4- (Dimethoxymethyl) -1H-pyrrolo[2,3-b]pyridine
OR1070085-01	3- (3- (Dimethoxymethyl) -1H-pyrazol-5-yl) pyridine
sc-311175	5-Dimethoxymethyl-1H-pyrrolo[2,3-b]pyridine
sc-325692	6- (Dimethoxymethyl) -1H-pyrrolo[3,2-b]pyridine
436170-01	5-Chloro-4- (dimethoxymethyl) -1h-pyrrolo-[2,3-b]pyridine
435249-01	5-Bromo-2- (dimethoxymethyl) -1- (phenylsulfonyl) -1h-pyrrolo[2,3-b]pyridine
HY-76228-01	1H-pyrazole