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4-Aminopyrazole-d2

CAT: 0804-HY-W008242S-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W008242S-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Aminopyrazole-d2 is the deuterium labeled 4-Aminopyrazole. 4-Aminopyrazole is a small active molecule[1].
CAS Number
2241865-21-2
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99.9
Smiles
NC1=C([2H])NN=C1[2H]
Molecular Formula
C3H3D2N3
Molecular Weight
85.10
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

4-Aminopyrazole-d2
CAS Number2241865-21-2
PubChem CID172405270
IUPAC Name3,5-dideuterio-1H-pyrazol-4-amine
Molecular FormulaC3H5N3
Molecular Weight85.10
XLogP-1.1
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity45
SMILES
[2H]C1=C(C(=NN1)[2H])N
InChI
InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)/i1D,2D
InChIKey
AXINVSXSGNSVLV-QDNHWIQGSA-N
Chemical Structure
2D Structure
2D structure of 4-Aminopyrazole-d2
CAS: 2241865-21-2
CID: 172405270
Formula: C3H5N3
MW: 85.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight85.10
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass85.060900664
Monoisotopic Mass85.060900664
Topological Polar Surface Area54.7 Ų
Heavy Atom Count6
Formal Charge0
Complexity45.3
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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