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1870108-48-7 | 5-iodo-1-methyl-N-(propan-2-yl)-1H-pyrazole-4-carboxamide
CAS No: 1870108-48-7 Catalog No: AG00NDK1 MDL No:MFCD30312773
Product Description
Catalog Number:
AG00NDK1
Chemical Name:
5-iodo-1-methyl-N-(propan-2-yl)-1H-pyrazole-4-carboxamide
CAS Number:
1870108-48-7
Molecular Formula:
C8H12IN3O
Molecular Weight:
293.1048
MDL Number:
MFCD30312773
IUPAC Name:
5-iodo-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
InChI:
InChI=1S/C8H12IN3O/c1-5(2)11-8(13)6-4-10-12(3)7(6)9/h4-5H,1-3H3,(H,11,13)
InChI Key:
OGIBNPLFWAYKCI-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1cnn(c1I)C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.003g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.108g/mol
Monoisotopic Mass:
293.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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