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1017785-26-0 | 1H-Pyrazole-4-methanamine, 5-amino-1-(4-fluorophenyl)-
CAS No: 1017785-26-0 Catalog No: AG0005JC MDL No:MFCD06212838
Product Description
Catalog Number:
AG0005JC
Chemical Name:
1H-Pyrazole-4-methanamine, 5-amino-1-(4-fluorophenyl)-
CAS Number:
1017785-26-0
Molecular Formula:
C10H11FN4
Molecular Weight:
206.2195
MDL Number:
MFCD06212838
IUPAC Name:
4-(aminomethyl)-2-(4-fluorophenyl)pyrazol-3-amine
InChI:
InChI=1S/C10H11FN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,5,12-13H2
InChI Key:
QBJZLWRZRBQILR-UHFFFAOYSA-N
SMILES:
NCc1cnn(c1N)c1ccc(cc1)F
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.224g/mol
Monoisotopic Mass:
206.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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