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1017781-37-1 | 1H-Pyrazol-5-amine, 3-ethyl-1-phenyl-
CAS No: 1017781-37-1 Catalog No: AG0005I5 MDL No:MFCD02255835
Product Description
Catalog Number:
AG0005I5
Chemical Name:
1H-Pyrazol-5-amine, 3-ethyl-1-phenyl-
CAS Number:
1017781-37-1
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD02255835
IUPAC Name:
5-ethyl-2-phenylpyrazol-3-amine
InChI:
InChI=1S/C11H13N3/c1-2-9-8-11(12)14(13-9)10-6-4-3-5-7-10/h3-8H,2,12H2,1H3
InChI Key:
VDDXDDOVXQJPGV-UHFFFAOYSA-N
SMILES:
CCc1nn(c(c1)N)c1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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