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1052552-26-7 | 2-(3-Methoxybenzyl)-2H-pyrazol-3-ylamine
CAS No: 1052552-26-7 Catalog No: AG01FBRL MDL No:
Product Description
Catalog Number:
AG01FBRL
Chemical Name:
2-(3-Methoxybenzyl)-2H-pyrazol-3-ylamine
CAS Number:
1052552-26-7
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
IUPAC Name:
2-[(3-methoxyphenyl)methyl]pyrazol-3-amine
InChI:
InChI=1S/C11H13N3O/c1-15-10-4-2-3-9(7-10)8-14-11(12)5-6-13-14/h2-7H,8,12H2,1H3
InChI Key:
GJWBIDSACOGQCP-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Cn1nccc1N
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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