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Compound Fr13737

CAT: 0013-GTR19269966-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269966-02Size:5 mg
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Description
Compound Fr13737, with CAS No. 28739-42-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13737 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
28739-42-6
Smiles
CC1=C (CCCN) C=NN1
Molecular Formula
C7H13N3
Molecular Weight
139.1982
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CAS Number28739-42-6
PubChem CID2736943
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
Molecular FormulaC7H13N3
Molecular Weight139.20
XLogP0.3
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity94
SMILES
CC1=C(C=NN1)CCCN
InChI
InChI=1S/C7H13N3/c1-6-7(3-2-4-8)5-9-10-6/h5H,2-4,8H2,1H3,(H,9,10)
InChIKey
BYGCQGLHPCERCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CAS: 28739-42-6
CID: 2736943
Formula: C7H13N3
MW: 139.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.20
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass139.110947427
Monoisotopic Mass139.110947427
Topological Polar Surface Area54.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity94.9
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

Related Products

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GTR19269870-01Compound Fr13037
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GTR19269976-01Compound Fr13783
GTR19269975-01Compound Fr13780
GTR19269974-01Compound Fr13776
GTR19269932-01Compound Fr13547
GTR19269897-01Compound Fr13232
GTR19269893-01Compound Fr13217

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