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1134-82-3 | 1H-Pyrazol-5-amine, 3-methyl-1-(phenylmethyl)-
CAS No: 1134-82-3 Catalog No: AG0008FT MDL No:MFCD00463110
Product Description
Catalog Number:
AG0008FT
Chemical Name:
1H-Pyrazol-5-amine, 3-methyl-1-(phenylmethyl)-
CAS Number:
1134-82-3
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD00463110
IUPAC Name:
2-benzyl-5-methylpyrazol-3-amine
InChI:
InChI=1S/C11H13N3/c1-9-7-11(12)14(13-9)8-10-5-3-2-4-6-10/h2-7H,8,12H2,1H3
InChI Key:
WRHZMJSDCJXWDL-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)N)Cc1ccccc1
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:
1.9
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