Sildenafil Impurity 211

CAT: 1299-RM-S041511-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S041511-02Size:25 mg

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CAS Number

2639995-95-0

Synonyms

Ethyl 3-isobutyl-1H-pyrazole-5-carboxylate

Molecular Formula

C10H16N2O2

Molecular Weight

196.25

Target Alternative Name

Sildenafil

Product Name Synonym

Ethyl 3-isobutyl-1H-pyrazole-5-carboxylate

Chemical Information

ethyl 3-isobutyl-1H-pyrazole-5-carboxylate

CAS Number	2639995-95-0
PubChem CID	3804408
IUPAC Name	ethyl 5-(2-methylpropyl)-1H-pyrazole-3-carboxylate
Molecular Formula	C10H16N2O2
Molecular Weight	196.25
XLogP	2.4
Topological Polar Surface Area	55
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	195

SMILES

CCOC(=O)C1=NNC(=C1)CC(C)C

InChI

InChI=1S/C10H16N2O2/c1-4-14-10(13)9-6-8(11-12-9)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12)

InChIKey

AFSADCYNSHGALW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2639995-95-0

CID: 3804408

Formula: C10H16N2O2

MW: 196.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.25
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	196.121177757
Monoisotopic Mass	196.121177757
Topological Polar Surface Area	55 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	195
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
RM-S041469-01	Sildenafil Impurity 169 ((Iso Sildenafil) )
RM-S041467-01	Sildenafil Impurity 167
RM-S041466-01	Sildenafil Impurity 166
RM-S041462-01	Sildenafil Impurity 162
RM-S041458-01	Sildenafil Impurity 158
RM-S041456-01	Sildenafil Impurity 156
RM-S041604-01	Sildenafil Impurity 304
RM-S041405-01	Sildenafil Impurity E
RM-S040669-01	Sildenafil Impurity 69
RM-S040671-01	Sildenafil Impurity 71