Home Carboxys 5-carbamoyl-1H-pyrazole-3-carboxylic acid

5-carbamoyl-1H-pyrazole-3-carboxylic acid

CAS No.:
1401570-10-2
Catalog Number:
AG01EK5O
Molecular Formula:
C5H5N3O3
Molecular Weight:
155.1115
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Product Description
Catalog Number:
AG01EK5O
Chemical Name:
5-carbamoyl-1H-pyrazole-3-carboxylic acid
CAS Number:
1401570-10-2
Molecular Formula:
C5H5N3O3
Molecular Weight:
155.1115
MDL Number:
MFCD20657761
IUPAC Name:
3-carbamoyl-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C5H5N3O3/c6-4(9)2-1-3(5(10)11)8-7-2/h1H,(H2,6,9)(H,7,8)(H,10,11)
InChI Key:
BOHBEMLNBWHEIL-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(c1)C(=O)N
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.033g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
155.113g/mol
Monoisotopic Mass:
155.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties