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16459-47-5 | 1H-Pyrazol-5-amine, 3-methyl-1-(4-nitrophenyl)-
CAS No: 16459-47-5 Catalog No: AG001UYI MDL No:MFCD00233473
Product Description
Catalog Number:
AG001UYI
Chemical Name:
1H-Pyrazol-5-amine, 3-methyl-1-(4-nitrophenyl)-
CAS Number:
16459-47-5
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
MDL Number:
MFCD00233473
IUPAC Name:
5-methyl-2-(4-nitrophenyl)pyrazol-3-amine
InChI:
InChI=1S/C10H10N4O2/c1-7-6-10(11)13(12-7)8-2-4-9(5-3-8)14(15)16/h2-6H,11H2,1H3
InChI Key:
TVXCGEBTCKIPNH-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)N)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| 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 |
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