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263762-14-7 | 1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-[(4-fluorophenyl)methyl]-, hydrazide
CAS No: 263762-14-7 Catalog No: AG002SWX MDL No:MFCD01571307
Product Description
Catalog Number:
AG002SWX
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-[(4-fluorophenyl)methyl]-, hydrazide
CAS Number:
263762-14-7
Molecular Formula:
C15H19FN4O
Molecular Weight:
290.3360
MDL Number:
MFCD01571307
IUPAC Name:
5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carbohydrazide
InChI:
InChI=1S/C15H19FN4O/c1-15(2,3)13-8-12(14(21)18-17)20(19-13)9-10-4-6-11(16)7-5-10/h4-8H,9,17H2,1-3H3,(H,18,21)
InChI Key:
OMYGSOKHINHYPX-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(nn1Cc1ccc(cc1)F)C(C)(C)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.154g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.342g/mol
Monoisotopic Mass:
290.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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