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Methyl 3-amino-1H-pyrazole-4-carboxylate

CAS No.:
29097-00-5
Catalog Number:
AG002XAA
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$57
- +
5g
97%
In Stock USA
United States
$182
- +
10g
97%
In Stock USA
United States
$313
- +
25g
97%
In Stock USA
United States
$557
- +
100g
97%
In Stock USA
United States
$1775
- +
Product Description
Catalog Number:
AG002XAA
Chemical Name:
Methyl 3-amino-1H-pyrazole-4-carboxylate
CAS Number:
29097-00-5
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD03990487
IUPAC Name:
methyl 5-amino-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C5H7N3O2/c1-10-5(9)3-2-7-8-4(3)6/h2H,1H3,(H3,6,7,8)
InChI Key:
KGQFAPZUQKYADG-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]nc1N
NSC Number:
117628
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties