(5-tert-butyl-2-m-tolyl-2H-pyrazol-3-yl)-carbamic acid 2,2,2-trichloro-ethyl ester

HCID 44598708
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Basic information

Standard SMILES
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)OCC(Cl)(Cl)Cl)c1
InChIKey
RYBVNOLELQNLHR-UHFFFAOYSA-N
Molecular formula
C17H20Cl3N3O2
Average molar mass
404.7 g/mol
Monoisotopic mass
403.06211

Names & identifiers

Preferred name
(5-tert-butyl-2-m-tolyl-2H-pyrazol-3-yl)-carbamic acid 2,2,2-trichloro-ethyl ester
IUPAC
2,2,2-trichloroethyl N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamate

Names & synonyms

SCHEMBL2452394RYBVNOLELQNLHR-UHFFFAOYSA-NDB-163472(5-tert-butyl-2-m-tolyl-2H-pyrazol-3-yl)-carbamic acid 2,2,2-trichloro-ethyl ester2,2,2-Trichloroethyl (3-(tert-butyl)-1-(m-tolyl)-1H-pyrazol-5-yl)carbamate1160934-76-8

Database identifiers

PubChem CID
44598708

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
56.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
25

Related reactions

1 records
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Compound notes

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