Home Other Building Blocks 1-ethyl-5-ethynyl-1H-pyrazole

1-ethyl-5-ethynyl-1H-pyrazole

CAS No.:
1344083-08-4
Catalog Number:
AG01B9AJ
Molecular Formula:
C7H8N2
Molecular Weight:
120.1518
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Product Description
Catalog Number:
AG01B9AJ
Chemical Name:
1-ethyl-5-ethynyl-1H-pyrazole
CAS Number:
1344083-08-4
Molecular Formula:
C7H8N2
Molecular Weight:
120.1518
MDL Number:
MFCD19621309
IUPAC Name:
1-ethyl-5-ethynylpyrazole
InChI:
InChI=1S/C7H8N2/c1-3-7-5-6-8-9(7)4-2/h1,5-6H,4H2,2H3
InChI Key:
RVRLSAKBYXYLEX-UHFFFAOYSA-N
SMILES:
C#Cc1ccnn1CC
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.069g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.155g/mol
Monoisotopic Mass:
120.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties