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3-(5-anilino-3-methylpyrazol-1-yl)propanenitrile

3-(5-anilino-3-methylpyrazol-1-yl)propanenitrile structure

CAS No:
847453-92-3
Formula:
C13H14N4
Chemical Name:
3-(5-anilino-3-methylpyrazol-1-yl)propanenitrile
Synonyms:
MLS000054067;Enamine_003407;CHEMBL1538857;HMS1403K19;HMS2184K20;ZINC3239315;AKOS034459897;MCULE-9855964929;SMR000061430;SR-01000034089;SR-01000034089-1;Z56839695;3-[3-methyl-5-(phenylamino)-1H-pyrazol-1-yl]propanenitrile;847453-92-3

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3-(5-anilino-3-methylpyrazol-1-yl)propanenitrile Basic Attributes

Molecular Weight：

226.28 g/mol

Exact Mass：

226.121846464 g/mol

Characteristics

PSA：

53.6 Å²

XLogP3：

2.92178

Computed Properties

Molecular Weight:226.28
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:226.121846464
Monoisotopic Mass:226.121846464
Topological Polar Surface Area:53.6
Heavy Atom Count:17
Complexity:276
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(5-anilino-3-methylpyrazol-1-yl)propanenitrile

Basic Attributes
Characteristics
Computed Properties

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