ethyl 5-(1H-pyrrol-1-yl)-1-t-butyl-1H-pyrazole-4-carboxylate

HCID 57736366
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Basic information

Standard SMILES
CCOC(=O)c1cnn(C(C)(C)C)c1-n1cccc1
InChIKey
GWJHPNMTODOFJS-UHFFFAOYSA-N
Molecular formula
C14H19N3O2
Average molar mass
261.32 g/mol
Monoisotopic mass
261.14772686

Names & identifiers

Preferred name
ethyl 5-(1H-pyrrol-1-yl)-1-t-butyl-1H-pyrazole-4-carboxylate
IUPAC
ethyl 1-tert-butyl-5-pyrrol-1-ylpyrazole-4-carboxylate

Names & synonyms

SCHEMBL3771468GWJHPNMTODOFJS-UHFFFAOYSA-Nethyl 5-(1H-pyrrol-1-yl)-1-t-butyl-1H-pyrazole-4-carboxylate

Database identifiers

PubChem CID
57736366

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
49.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

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