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1152867-10-1 | 1H-Pyrazol-4-amine, 1-[(4-methoxyphenyl)methyl]-
CAS No: 1152867-10-1 Catalog No: AG000GJC MDL No:MFCD11128222
Product Description
Catalog Number:
AG000GJC
Chemical Name:
1H-Pyrazol-4-amine, 1-[(4-methoxyphenyl)methyl]-
CAS Number:
1152867-10-1
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD11128222
IUPAC Name:
1-[(4-methoxyphenyl)methyl]pyrazol-4-amine
InChI:
InChI=1S/C11H13N3O/c1-15-11-4-2-9(3-5-11)7-14-8-10(12)6-13-14/h2-6,8H,7,12H2,1H3
InChI Key:
FDECMPHXYDYHEZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1ncc(c1)N
Properties
Complexity:
192
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:
1.1
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