Darolutamide Terminal fragment Impurity

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CAT#:1596-AR-D08026-01Size:50 Units

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CAS Number

1297537-45-1

Synonyms

1H-Pyrazole-3-carboxylic acid, 5-acetyl- (ACI)

Molecular Formula

C6H6N2O3

Molecular Weight

154.1

API Name

Darolutamide

Chemical Information

3-acetyl-1H-pyrazole-5-carboxylic acid

CAS Number	1297537-45-1
PubChem CID	16767346
IUPAC Name	3-acetyl-1H-pyrazole-5-carboxylic acid
Molecular Formula	C6H6N2O3
Molecular Weight	154.12
XLogP	0.1
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	192

SMILES

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

InChI

InChI=1S/C6H6N2O3/c1-3(9)4-2-5(6(10)11)8-7-4/h2H,1H3,(H,7,8)(H,10,11)

InChIKey

HFBWRCZRDIVAMQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1297537-45-1

CID: 16767346

Formula: C6H6N2O3

MW: 154.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.12
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	154.03784206
Monoisotopic Mass	154.03784206
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	192
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
AR-D08045-01	Darolutamide Fragment
AR-D08002-01	Darolutamide Acetyl Impurity
AR-D08046-01	Darolutamide Amino impurity
AR-D08027-01	Darolutamide Impurity 11
AR-D08024-01	Darolutamide Amide Impurity
AR-D08023-01	Darolutamide Despyrazol Impurity
AR-D06499-01	Darolutamide Impurity 7
AR-D06498-01	Darolutamide Impurity 6
AR-D06493-01	Darolutamide Pyrazol benzonitrile Impurity
AR-D08025-01	Darolutamide Carboxilic acid Impurity