3-Ethoxy-5-methyl-1H-pyrazole

CAT: 0926-DAA20121Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-DAA20121Size:5 g

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CAS Number

3201-21-6

MDL Number

MFCD00234240

Smiles

CCOC1=NNC (=C1) C

Molecular Formula

C6H10N2O

Molecular Weight

126.16 g/mol

Controlled

Chemical Information

5-ethoxy-3-methyl-1H-pyrazole

CAS Number	3201-21-6
PubChem CID	316286
IUPAC Name	3-ethoxy-5-methyl-1H-pyrazole
Molecular Formula	C6H10N2O
Molecular Weight	126.16
XLogP	1.3
Topological Polar Surface Area	37.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	87

SMILES

CCOC1=NNC(=C1)C

InChI

InChI=1S/C6H10N2O/c1-3-9-6-4-5(2)7-8-6/h4H,3H2,1-2H3,(H,7,8)

InChIKey

HXEKEMXHIRHCED-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3201-21-6

CID: 316286

Formula: C6H10N2O

MW: 126.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.16
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	126.079312947
Monoisotopic Mass	126.079312947
Topological Polar Surface Area	37.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	87.1
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
YPD37320-01	5-Ethoxy-1-ethyl-3-methyl-1H-pyrazole
MNA91560-01	4-Bromo-5-ethoxy-3-methyl-1H-pyrazole
WXB15735-01	5-Ethoxy-1-methyl-1H-pyrazole-3-carboxylic acid
PDA83143-01	5-Ethoxy-1H-pyrazole-3-carboxylic acid
LMB03361	3- (Difluoromethyl) -5-methyl-1H-pyrazole
GEA70191-01	5-Methyl-1H-pyrazole-3-carbothioamide
LIC70612-01	1-Benzyl-3- (difluoromethyl) -5-ethoxy-1H-pyrazole
LEC01905	3,5-dibromo-1-methyl-1H-pyrazole
KAC78769-01	1- (3-Bromophenyl) -5-methyl-1H-pyrazole
FM175488-01	Methyl 3-bromo-1H-pyrazole-5-carboxylate

Catalog	Name
OR927527-01	3-Ethoxy-5-methyl-1H-pyrazole
OR1061811-01	3-Ethoxy-5-iodo-1H-pyrazole
sc-350938	5-ethoxy-1-isobutyl-3-methyl-1H-pyrazole-4-carbaldehyde
M732953	Methyl 4-Ethoxy-1,3-dimethyl-1H-pyrazole-5-carboxylate
PC28153-01	5-Ethoxy-1-methyl-3- (trifluoromethyl) -1H-pyrazole-4-carbonitrile
sc-325583	5-Methyl-1H-pyrazole
OR1058143-01	5-Ethoxy-1-methyl-1H-pyrazole-4-carboxylic acid
sc-301120A	Methyl 5-methyl-1H-pyrazole-3-carboxylate
sc-313323	3-Methyl-1H-pyrazole-5-carbaldehyde
OR1101894-01	5-Methyl-1H-pyrazole-3-carbothioamide