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1152505-75-3 | 2-(2-Methoxybenzyl)-4-methyl-2H-pyrazol-3-ylamine
CAS No: 1152505-75-3 Catalog No: AG01F96B MDL No:
Product Description
Catalog Number:
AG01F96B
Chemical Name:
2-(2-Methoxybenzyl)-4-methyl-2H-pyrazol-3-ylamine
CAS Number:
1152505-75-3
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
IUPAC Name:
2-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine
InChI:
InChI=1S/C12H15N3O/c1-9-7-14-15(12(9)13)8-10-5-3-4-6-11(10)16-2/h3-7H,8,13H2,1-2H3
InChI Key:
RIRDPELMTAWASO-UHFFFAOYSA-N
SMILES:
COc1ccccc1Cn1ncc(c1N)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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