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827317-67-9

827317-67-9 | 1H-Indole-6-carboxamide, N-(1,1-dimethylethyl)-2-(1H-pyrazol-3-yl)-

CAS No: 827317-67-9 Catalog No: AG004ZWX MDL No:

Product Description

Catalog Number:
AG004ZWX
Chemical Name:
1H-Indole-6-carboxamide, N-(1,1-dimethylethyl)-2-(1H-pyrazol-3-yl)-
CAS Number:
827317-67-9
Molecular Formula:
C16H18N4O
Molecular Weight:
282.3403
IUPAC Name:
N-tert-butyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide
InChI:
InChI=1S/C16H18N4O/c1-16(2,3)19-15(21)11-5-4-10-8-14(18-13(10)9-11)12-6-7-17-20-12/h4-9,18H,1-3H3,(H,17,20)(H,19,21)
InChI Key:
TVTURBLGVRQKMN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)[nH]c(c2)c1n[nH]cc1)NC(C)(C)C

Properties

Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.148g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
282.347g/mol
Monoisotopic Mass:
282.148g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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