Home Other Building Blocks 1H-Pyrazole-4-methanamine,3,5-dimethyl-(9CI)

1H-Pyrazole-4-methanamine,3,5-dimethyl-(9CI)

CAS No.:
518064-16-9
Catalog Number:
AG00DCXS
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
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Product Description
Catalog Number:
AG00DCXS
Chemical Name:
1H-Pyrazole-4-methanamine,3,5-dimethyl-(9CI)
CAS Number:
518064-16-9
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
MDL Number:
MFCD03129280
IUPAC Name:
(3,5-dimethyl-1H-pyrazol-4-yl)methanamine
InChI:
InChI=1S/C6H11N3/c1-4-6(3-7)5(2)9-8-4/h3,7H2,1-2H3,(H,8,9)
InChI Key:
YJVZLKBKPGYLJW-UHFFFAOYSA-N
SMILES:
NCc1c(C)n[nH]c1C
Properties
Complexity:
94.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.095g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
125.175g/mol
Monoisotopic Mass:
125.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties