tert-butyl 2-(4-bromo-3-cyano-1-propyl-1H-pyrazol-5-yl)ethylcarbamate

HCID 66958960
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Basic information

Standard SMILES
CCCn1nc(C#N)c(Br)c1CCNC(=O)OC(C)(C)C
InChIKey
VXCMZNBNFHGXNA-UHFFFAOYSA-N
Molecular formula
C14H21BrN4O2
Average molar mass
357.25 g/mol

Names & identifiers

Preferred name
tert-butyl 2-(4-bromo-3-cyano-1-propyl-1H-pyrazol-5-yl)ethylcarbamate
IUPAC
tert-butyl N-[2-(4-bromo-5-cyano-2-propylpyrazol-3-yl)ethyl]carbamate

Names & synonyms

SCHEMBL1234213VXCMZNBNFHGXNA-UHFFFAOYSA-Ntert-butyl 2-(4-bromo-3-cyano-1-propyl-1H-pyrazol-5-yl)ethylcarbamate

Database identifiers

PubChem CID
66958960

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
79.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
21

Related reactions

3 records
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Compound notes

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