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1248324-24-4 | 3H-Pyrazol-3-one, 4-amino-2-cyclohexyl-1,2-dihydro-1,5-dimethyl-
CAS No: 1248324-24-4 Catalog No: AG000MS3 MDL No:MFCD14620049
Product Description
Catalog Number:
AG000MS3
Chemical Name:
3H-Pyrazol-3-one, 4-amino-2-cyclohexyl-1,2-dihydro-1,5-dimethyl-
CAS Number:
1248324-24-4
Molecular Formula:
C11H19N3O
Molecular Weight:
209.2881
MDL Number:
MFCD14620049
IUPAC Name:
4-amino-2-cyclohexyl-1,5-dimethylpyrazol-3-one
InChI:
InChI=1S/C11H19N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h9H,3-7,12H2,1-2H3
InChI Key:
APQOOJSYNFLVKA-UHFFFAOYSA-N
SMILES:
Nc1c(C)n(n(c1=O)C1CCCCC1)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.153g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.293g/mol
Monoisotopic Mass:
209.153g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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