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827318-41-2 | Urea, N-methyl-N'-[2-(1H-pyrazol-4-yl)-1H-indol-5-yl]-
CAS No: 827318-41-2 Catalog No: AG0058J7 MDL No:
Product Description
Catalog Number:
AG0058J7
Chemical Name:
Urea, N-methyl-N'-[2-(1H-pyrazol-4-yl)-1H-indol-5-yl]-
CAS Number:
827318-41-2
Molecular Formula:
C13H13N5O
Molecular Weight:
255.2752
IUPAC Name:
1-methyl-3-[2-(1H-pyrazol-4-yl)-1H-indol-5-yl]urea
InChI:
InChI=1S/C13H13N5O/c1-14-13(19)17-10-2-3-11-8(4-10)5-12(18-11)9-6-15-16-7-9/h2-7,18H,1H3,(H,15,16)(H2,14,17,19)
InChI Key:
FYWHLYCYDVXVRA-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1ccc2c(c1)cc([nH]2)c1c[nH]nc1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
255.281g/mol
Monoisotopic Mass:
255.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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