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1015846-18-0 | 1H-Pyrazol-5-amine, 4-(4-methoxyphenyl)-1,3-dimethyl-
CAS No: 1015846-18-0 Catalog No: AG0004VU MDL No:MFCD09055260
Product Description
Catalog Number:
AG0004VU
Chemical Name:
1H-Pyrazol-5-amine, 4-(4-methoxyphenyl)-1,3-dimethyl-
CAS Number:
1015846-18-0
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
MDL Number:
MFCD09055260
IUPAC Name:
4-(4-methoxyphenyl)-2,5-dimethylpyrazol-3-amine
InChI:
InChI=1S/C12H15N3O/c1-8-11(12(13)15(2)14-8)9-4-6-10(16-3)7-5-9/h4-7H,13H2,1-3H3
InChI Key:
QAFSLXFLSQXIIG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(C)nn(c1N)C
Properties
Complexity:
228
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:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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