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14678-99-0 | 1H-Pyrazol-5-amine, 1-(4-methylphenyl)-
CAS No: 14678-99-0 Catalog No: AG001EC1 MDL No:
Product Description
Catalog Number:
AG001EC1
Chemical Name:
1H-Pyrazol-5-amine, 1-(4-methylphenyl)-
CAS Number:
14678-99-0
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
IUPAC Name:
2-(4-methylphenyl)pyrazol-3-amine
InChI:
InChI=1S/C10H11N3/c1-8-2-4-9(5-3-8)13-10(11)6-7-12-13/h2-7H,11H2,1H3
InChI Key:
VDMMBTKYMRHQCI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1nccc1N
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.219g/mol
Monoisotopic Mass:
173.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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