Sildenafil Impurity 57

CAT: 1299-RM-S040657-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S040657-01Size:10 mg

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CAS Number

139755-99-0

Synonyms

1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid

Molecular Formula

C8H12N2O2

Molecular Weight

168.19

Target Alternative Name

Sildenafil

Product Name Synonym

1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid

Chemical Information

1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid

CAS Number	139755-99-0
PubChem CID	587797
IUPAC Name	1-methyl-3-propylpyrazole-5-carboxylic acid
Molecular Formula	C8H12N2O2
Molecular Weight	168.19
XLogP	1.3
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

CCCC1=NN(C(=C1)C(=O)O)C

InChI

InChI=1S/C8H12N2O2/c1-3-4-6-5-7(8(11)12)10(2)9-6/h5H,3-4H2,1-2H3,(H,11,12)

InChIKey

KOABFSONXOOIIH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 139755-99-0

CID: 587797

Formula: C8H12N2O2

MW: 168.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.19
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	168.089877630
Monoisotopic Mass	168.089877630
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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-S040634-01	Sildenafil Impurity 34
RM-S040610-01	Sildenafil Pyrimidine Impurity
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-S041405-01	Sildenafil Impurity E
RM-S040669-01	Sildenafil Impurity 69