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Home Halogens 5-Amino-1-(tert-butyl)-3-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile

5-Amino-1-(tert-butyl)-3-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile

CAS No.:
180903-14-4
Catalog Number:
AG0022G1
Molecular Formula:
C14H15ClN4
Molecular Weight:
274.7487
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$150
- +
1g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG0022G1
Chemical Name:
5-Amino-1-(tert-butyl)-3-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile
CAS Number:
180903-14-4
Molecular Formula:
C14H15ClN4
Molecular Weight:
274.7487
MDL Number:
MFCD01935935
IUPAC Name:
5-amino-1-tert-butyl-3-(4-chlorophenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C14H15ClN4/c1-14(2,3)19-13(17)11(8-16)12(18-19)9-4-6-10(15)7-5-9/h4-7H,17H2,1-3H3
InChI Key:
HKCFCHLGYDCCSP-UHFFFAOYSA-N
SMILES:
N#Cc1c(nn(c1N)C(C)(C)C)c1ccc(cc1)Cl
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.099g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.752g/mol
Monoisotopic Mass:
274.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
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