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27834-98-6 | 1H-Pyrazol-5-amine, 4-ethyl-3-propyl-1-(3-pyridinyl)-
CAS No: 27834-98-6 Catalog No: AG002UW2 MDL No:
Product Description
Catalog Number:
AG002UW2
Chemical Name:
1H-Pyrazol-5-amine, 4-ethyl-3-propyl-1-(3-pyridinyl)-
CAS Number:
27834-98-6
Molecular Formula:
C13H18N4
Molecular Weight:
230.3088
IUPAC Name:
4-ethyl-5-propyl-2-pyridin-3-ylpyrazol-3-amine
InChI:
InChI=1S/C13H18N4/c1-3-6-12-11(4-2)13(14)17(16-12)10-7-5-8-15-9-10/h5,7-9H,3-4,6,14H2,1-2H3
InChI Key:
FTTQZDGARUDXDI-UHFFFAOYSA-N
SMILES:
CCCc1nn(c(c1CC)N)c1cccnc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.153g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.315g/mol
Monoisotopic Mass:
230.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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