Home Carboxys 5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:
26262-07-7
Catalog Number:
AG01A3CD
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
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Product Description
Catalog Number:
AG01A3CD
Chemical Name:
5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CAS Number:
26262-07-7
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD20642446
IUPAC Name:
5-amino-1-propan-2-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C7H11N3O2/c1-4(2)10-6(8)5(3-9-10)7(11)12/h3-4H,8H2,1-2H3,(H,11,12)
InChI Key:
IAJRTGABDFKUSX-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1N)C(=O)O)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties