5-Methoxy-1H-Pyrazole

CAT: 0127-OR1011895-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1011895-01Size:100 mg

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CAS Number

215610-30-3

MDL Number

MFCD05864418

Purity

97%

Smiles

COc1ccn[nH]1

Chemical Information

5-methoxy-1H-pyrazole

CAS Number	215610-30-3
PubChem CID	17852300
IUPAC Name	5-methoxy-1H-pyrazole
Molecular Formula	C4H6N2O
Molecular Weight	98.10
XLogP	0.5
Topological Polar Surface Area	37.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	57

SMILES

COC1=CC=NN1

InChI

InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)

InChIKey

ZGSNZVRXASCXRP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 215610-30-3

CID: 17852300

Formula: C4H6N2O

MW: 98.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	98.10
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	98.048012819
Monoisotopic Mass	98.048012819
Topological Polar Surface Area	37.9 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	57.7
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
PC110717-01	3-Methoxy-5- (trifluoromethyl) -1H-pyrazole
OR1051522-01	5-Methoxy-1-methyl-1H-pyrazole
OR76135-01	4-Methoxy-1H-pyrazole
OR1058368-01	5-Methoxy-1,3-dimethyl-1H-pyrazole
OR1050911-01	5-Methoxy-1-methyl-1H-pyrazole-4-carbaldehyde
OR1001563	4-Bromo-5-methoxy-1-methyl-1H-pyrazole
OR1033809-01	3-Methoxy-4-nitro-1H-pyrazole
OR83831-01	3-Methoxy-1-methyl-1H-pyrazole
OR77139-01	4-Bromo-3-methoxy-1H-pyrazole
OR1028732-01	4-Methoxy-1-Methyl-1H-Pyrazole

Catalog	Name
QQB77981-01	5-bromo-3-methoxy-1h-pyrazole
XVB01126-01	4-Bromo-5-methoxy-1H-pyrazole
QQB78080-01	5-Methoxy-3- (trifluoromethyl) -1H-pyrazole
RG-C092048-01	5-methoxy-3-methyl-1H-pyrazole
RG-E140948-01	3-methoxy-1,5-dimethyl-1H-pyrazole
TRC-B593195-100MG	5-Methoxy-1,3-dimethyl-1H-pyrazole
GKB69306-01	5-Methoxy-1H-pyrazole-3-carboxylic acid
FDD53108	4-Methoxy-1H-pyrazole hydrochloride
YEC61766-01	4-Bromo-5-methoxy-3-methyl-1H-pyrazole
XCA76087-01	3-amino-5-methoxy-1h-pyrazole-4-carbonitrile