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Compound Fr14019

CAT: 0931-Fr14019-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14019-02Size:25 mg
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CAS Number
17635-45-9
Bioactivity
Compound Fr14019, with CAS No. 17635-45-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14019 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.
Smiles
NC1=CC=C(C=C1)N1C=CC=N1
Molecular Formula
C9H9N3
Molecular Weight
159.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(1H-Pyrazol-1-yl)aniline
CAS Number17635-45-9
PubChem CID594274
IUPAC Name4-pyrazol-1-ylaniline
Molecular FormulaC9H9N3
Molecular Weight159.19
XLogP1.5
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity141
SMILES
C1=CN(N=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H9N3/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H,10H2
InChIKey
CSFIQHZIFKIQNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(1H-Pyrazol-1-yl)aniline
CAS: 17635-45-9
CID: 594274
Formula: C9H9N3
MW: 159.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.19
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass159.079647300
Monoisotopic Mass159.079647300
Topological Polar Surface Area43.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity141
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

CatalogName
Fr14018-01Compound Fr14018
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Fr14039-01Compound Fr14039
Fr14099-01Compound Fr14099
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Fr14049-01Compound Fr14049
Fr14012-01Compound Fr14012
Fr14089-01Compound Fr14089
Fr14069-01Compound Fr14069
Fr14091-01Compound Fr14091

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