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1017781-38-2 | 1H-Pyrazol-5-amine, 3-(4-iodophenyl)-1-(1-methylethyl)-
CAS No: 1017781-38-2 Catalog No: AG0005I4 MDL No:MFCD06738299
Product Description
Catalog Number:
AG0005I4
Chemical Name:
1H-Pyrazol-5-amine, 3-(4-iodophenyl)-1-(1-methylethyl)-
CAS Number:
1017781-38-2
Molecular Formula:
C12H14IN3
Molecular Weight:
327.1641
MDL Number:
MFCD06738299
IUPAC Name:
5-(4-iodophenyl)-2-propan-2-ylpyrazol-3-amine
InChI:
InChI=1S/C12H14IN3/c1-8(2)16-12(14)7-11(15-16)9-3-5-10(13)6-4-9/h3-8H,14H2,1-2H3
InChI Key:
PMLMUNXQCUYBTL-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1nn(c(c1)N)C(C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.169g/mol
Monoisotopic Mass:
327.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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