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101476-66-8 | 1H-Pyrazol-3-amine, N-ethyl-5-phenyl-
CAS No: 101476-66-8 Catalog No: AG0004L0 MDL No:
Product Description
Catalog Number:
AG0004L0
Chemical Name:
1H-Pyrazol-3-amine, N-ethyl-5-phenyl-
CAS Number:
101476-66-8
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
IUPAC Name:
N-ethyl-5-phenyl-1H-pyrazol-3-amine
InChI:
InChI=1S/C11H13N3/c1-2-12-11-8-10(13-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,12,13,14)
InChI Key:
RYBQUUGDNAOQEF-UHFFFAOYSA-N
SMILES:
CCNc1n[nH]c(c1)c1ccccc1
Properties
Complexity:
166
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:
2
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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