Home Other Building Blocks 4-ethynyl-1,3-dimethyl-1H-pyrazole

4-ethynyl-1,3-dimethyl-1H-pyrazole

CAS No.:
61514-53-2
Catalog Number:
AG01AOOH
Molecular Formula:
C7H8N2
Molecular Weight:
120.1518
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Product Description
Catalog Number:
AG01AOOH
Chemical Name:
4-ethynyl-1,3-dimethyl-1H-pyrazole
CAS Number:
61514-53-2
Molecular Formula:
C7H8N2
Molecular Weight:
120.1518
MDL Number:
MFCD24540411
IUPAC Name:
4-ethynyl-1,3-dimethylpyrazole
InChI:
InChI=1S/C7H8N2/c1-4-7-5-9(3)8-6(7)2/h1,5H,2-3H3
InChI Key:
DEQRCEZDXARLDX-UHFFFAOYSA-N
SMILES:
C#Cc1cn(nc1C)C
Properties
Complexity:
144  
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:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties