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1015845-95-0 | 1H-Pyrazol-5-amine, 3-methyl-1-[(3-methylphenyl)methyl]-
CAS No: 1015845-95-0 Catalog No: AG0004UX MDL No:MFCD08457368
Product Description
Catalog Number:
AG0004UX
Chemical Name:
1H-Pyrazol-5-amine, 3-methyl-1-[(3-methylphenyl)methyl]-
CAS Number:
1015845-95-0
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD08457368
IUPAC Name:
5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-amine
InChI:
InChI=1S/C12H15N3/c1-9-4-3-5-11(6-9)8-15-12(13)7-10(2)14-15/h3-7H,8,13H2,1-2H3
InChI Key:
NWVYVQFRGXWZOA-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Cn1nc(cc1N)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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