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Sildenafil Amino Amide Impurity

CAT: 1596-AR-S10307-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S10307-01Size:10 Units
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CAS Number
139756-02-8
Synonyms
4-Amino-1-methyl-3-propylpyrazole-5-carboxamide
Molecular Formula
C8H14N4O
Molecular Weight
182.23
API Name
Sildenafil

Chemical Information

4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide

4-amino-1-methyl-3-propylpyrazole-5-carboxamide is a multi-substituted pyrazolecarboxamide used in the industrial synthesis of sildenafil. It is a member of pyrazoles and a monocarboxylic acid amide.

CAS Number139756-02-8
PubChem CID3338044
IUPAC Name4-amino-1-methyl-3-propylpyrazole-5-carboxamide
Molecular FormulaC8H14N4O
Molecular Weight182.22
XLogP0.5
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity197
SMILES
CCCC1=NN(C(=C1N)C(=O)N)C
InChI
InChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)12(2)11-5/h3-4,9H2,1-2H3,(H2,10,13)
InChIKey
PZMXDLWWQHYXGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
CAS: 139756-02-8
CID: 3338044
Formula: C8H14N4O
MW: 182.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight182.22
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass182.11676108
Monoisotopic Mass182.11676108
Topological Polar Surface Area86.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity197
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes