Regadenoson Impurity 13

CAT: 1299-RM-R050713-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-R050713-02Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1154383-52-4

Synonyms

N-methyl-1H-pyrazole-4-carboxamide

Molecular Formula

C5H7N3O

Molecular Weight

125.13

Target Alternative Name

Regadenoson

Product Name Synonym

N-methyl-1H-pyrazole-4-carboxamide

Chemical Information

N-Methyl-1H-pyrazole-4-carboxamide

CAS Number	1154383-52-4
PubChem CID	43582329
IUPAC Name	N-methyl-1H-pyrazole-4-carboxamide
Molecular Formula	C5H7N3O
Molecular Weight	125.13
XLogP	-0.5
Topological Polar Surface Area	57.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	115

SMILES

CNC(=O)C1=CNN=C1

InChI

InChI=1S/C5H7N3O/c1-6-5(9)4-2-7-8-3-4/h2-3H,1H3,(H,6,9)(H,7,8)

InChIKey

KYHLCISBAUJJDH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1154383-52-4

CID: 43582329

Formula: C5H7N3O

MW: 125.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.13
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	125.058911855
Monoisotopic Mass	125.058911855
Topological Polar Surface Area	57.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	115
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