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3-Ethyl-1H-pyrazole

CAT: 0127-OR1053968-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1053968-01Size:250 mg
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CAS Number
13808-71-4
MDL Number
MFCD08701138
Purity
95%
Smiles
CCC1=NNC=C1

Chemical Information

3-ethyl-1H-pyrazole
CAS Number13808-71-4
PubChem CID498459
IUPAC Name5-ethyl-1H-pyrazole
Molecular FormulaC5H8N2
Molecular Weight96.13
XLogP1
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity54
SMILES
CCC1=CC=NN1
InChI
InChI=1S/C5H8N2/c1-2-5-3-4-6-7-5/h3-4H,2H2,1H3,(H,6,7)
InChIKey
CBNLNXLAIMQSTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-ethyl-1H-pyrazole
CAS: 13808-71-4
CID: 498459
Formula: C5H8N2
MW: 96.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight96.13
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass96.068748264
Monoisotopic Mass96.068748264
Topological Polar Surface Area28.7 Ų
Heavy Atom Count7
Formal Charge0
Complexity54
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

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