3-[4-(N-Boc-aminomethyl)-phenylamino]-4-cyano-5-dimethylamino-methyleneamino-pyrazole

HCID 69696972
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Basic information

Standard SMILES
C=Nn1nc(Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c(C#N)c1N(C)C
InChIKey
SSVXDQDYFLJCCH-UHFFFAOYSA-N
Molecular formula
C19H25N7O2
Average molar mass
383.4 g/mol
Monoisotopic mass
383.20697307

Names & identifiers

Preferred name
3-[4-(N-Boc-aminomethyl)-phenylamino]-4-cyano-5-dimethylamino-methyleneamino-pyrazole
IUPAC
tert-butyl N-[[4-[[4-cyano-5-(dimethylamino)-1-(methylideneamino)pyrazol-3-yl]amino]phenyl]methyl]carbamate

Names & synonyms

SCHEMBL6188647SSVXDQDYFLJCCH-UHFFFAOYSA-N3-[4-(N-Boc-aminomethyl)-phenylamino]-4-cyano-5-dimethylamino-methyleneamino-pyrazole

Database identifiers

PubChem CID
69696972

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
28

Related reactions

1 records
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Linked notes

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