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114936-20-8 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-methyl-, 2-(1-ethoxyethylidene)hydrazide
CAS No: 114936-20-8 Catalog No: AG000FGD MDL No:MFCD05021852
Product Description
Catalog Number:
AG000FGD
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-methyl-, 2-(1-ethoxyethylidene)hydrazide
CAS Number:
114936-20-8
Molecular Formula:
C9H15N5O2
Molecular Weight:
225.2477
MDL Number:
MFCD05021852
IUPAC Name:
ethyl N-(5-amino-1-methylpyrazole-4-carbonyl)ethanehydrazonate
InChI:
InChI=1S/C9H15N5O2/c1-4-16-6(2)12-13-9(15)7-5-11-14(3)8(7)10/h5H,4,10H2,1-3H3,(H,13,15)
InChI Key:
LKBDLUGBWAFBBL-UHFFFAOYSA-N
SMILES:
CCOC(=NNC(=O)c1cnn(c1N)C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.123g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.252g/mol
Monoisotopic Mass:
225.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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