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306937-06-4 | 1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-, hydrazide
CAS No: 306937-06-4 Catalog No: AG0030Y9 MDL No:MFCD01571370
Product Description
Catalog Number:
AG0030Y9
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-, hydrazide
CAS Number:
306937-06-4
Molecular Formula:
C16H22N4O
Molecular Weight:
286.3721
MDL Number:
MFCD01571370
IUPAC Name:
5-tert-butyl-2-[(3-methylphenyl)methyl]pyrazole-3-carbohydrazide
InChI:
InChI=1S/C16H22N4O/c1-11-6-5-7-12(8-11)10-20-13(15(21)18-17)9-14(19-20)16(2,3)4/h5-9H,10,17H2,1-4H3,(H,18,21)
InChI Key:
BURIRBNHVPFUOL-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(nn1Cc1cccc(c1)C)C(C)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.179g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.379g/mol
Monoisotopic Mass:
286.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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