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1017781-36-0 | 1H-Pyrazol-5-amine, 1-phenyl-3-propyl-
CAS No: 1017781-36-0 Catalog No: AG0005I6 MDL No:MFCD06738761
Product Description
Catalog Number:
AG0005I6
Chemical Name:
1H-Pyrazol-5-amine, 1-phenyl-3-propyl-
CAS Number:
1017781-36-0
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD06738761
IUPAC Name:
2-phenyl-5-propylpyrazol-3-amine
InChI:
InChI=1S/C12H15N3/c1-2-6-10-9-12(13)15(14-10)11-7-4-3-5-8-11/h3-5,7-9H,2,6,13H2,1H3
InChI Key:
FQRXJKWGQLGYDO-UHFFFAOYSA-N
SMILES:
CCCc1nn(c(c1)N)c1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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