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100061-56-1 | 1H-Pyrazole-4-carboxamide, 5-amino-1-(4-methylphenyl)-
CAS No: 100061-56-1 Catalog No: AG0000S9 MDL No:MFCD11054265
Product Description
Catalog Number:
AG0000S9
Chemical Name:
1H-Pyrazole-4-carboxamide, 5-amino-1-(4-methylphenyl)-
CAS Number:
100061-56-1
Molecular Formula:
C11H12N4O
Molecular Weight:
216.2392
MDL Number:
MFCD11054265
IUPAC Name:
5-amino-1-(4-methylphenyl)pyrazole-4-carboxamide
InChI:
InChI=1S/C11H12N4O/c1-7-2-4-8(5-3-7)15-10(12)9(6-14-15)11(13)16/h2-6H,12H2,1H3,(H2,13,16)
InChI Key:
MXBYCCRXPQPHBP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1ncc(c1N)C(=O)N
NSC Number:
11616
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.244g/mol
Monoisotopic Mass:
216.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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