tert-Butyl (3-{[(6-Chloropyridin-3-yl)carbonyl]amino}-1-phenyl-1H-pyrazol-4-yl)-carbamate

HCID 57717470
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Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Cl)nc1
InChIKey
YZUUGGTZXNWVQU-UHFFFAOYSA-N
Molecular formula
C20H20ClN5O3
Average molar mass
413.9 g/mol
Monoisotopic mass
413.1254672

Names & identifiers

Preferred name
tert-Butyl (3-{[(6-Chloropyridin-3-yl)carbonyl]amino}-1-phenyl-1H-pyrazol-4-yl)-carbamate
IUPAC
tert-butyl N-[3-[(6-chloropyridine-3-carbonyl)amino]-1-phenylpyrazol-4-yl]carbamate

Names & synonyms

SCHEMBL8168949YZUUGGTZXNWVQU-UHFFFAOYSA-Ntert-Butyl (3-{[(6-Chloropyridin-3-yl)carbonyl]amino}-1-phenyl-1H-pyrazol-4-yl)-carbamate

Database identifiers

PubChem CID
57717470

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
98.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

Related reactions

4 records
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Compound notes

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