Home Nitriles 4-methyl-1H-pyrazole-3-carbonitrile

4-methyl-1H-pyrazole-3-carbonitrile

CAS No.:
88893-75-8
Catalog Number:
AG01E2ML
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
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Product Description
Catalog Number:
AG01E2ML
Chemical Name:
4-methyl-1H-pyrazole-3-carbonitrile
CAS Number:
88893-75-8
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
MDL Number:
MFCD05258776
IUPAC Name:
4-methyl-1H-pyrazole-5-carbonitrile
InChI:
InChI=1S/C5H5N3/c1-4-3-7-8-5(4)2-6/h3H,1H3,(H,7,8)
InChI Key:
WFPRLXZIHCHHKP-UHFFFAOYSA-N
SMILES:
Cc1c[nH]nc1C#N
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.048g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
107.116g/mol
Monoisotopic Mass:
107.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties