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263385-00-8 | 1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-(phenylmethyl)-, hydrazide
CAS No: 263385-00-8 Catalog No: AG002SSF MDL No:MFCD01567259
Product Description
Catalog Number:
AG002SSF
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-(phenylmethyl)-, hydrazide
CAS Number:
263385-00-8
Molecular Formula:
C15H20N4O
Molecular Weight:
272.3455
MDL Number:
MFCD01567259
IUPAC Name:
2-benzyl-5-tert-butylpyrazole-3-carbohydrazide
InChI:
InChI=1S/C15H20N4O/c1-15(2,3)13-9-12(14(20)17-16)19(18-13)10-11-7-5-4-6-8-11/h4-9H,10,16H2,1-3H3,(H,17,20)
InChI Key:
ISWFKWUMVJAOMN-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(nn1Cc1ccccc1)C(C)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.164g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.352g/mol
Monoisotopic Mass:
272.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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