ethyl 1-butyl-5-methyl-1H-pyrazole-3-carboxylate

HCID 66958271
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCn1nc(C(=O)OCC)cc1C
InChIKey
ZRMJUCOOLHJTNV-UHFFFAOYSA-N
Molecular formula
C11H18N2O2
Average molar mass
210.27 g/mol
Monoisotopic mass
210.13682782

Names & identifiers

Preferred name
ethyl 1-butyl-5-methyl-1H-pyrazole-3-carboxylate
IUPAC
ethyl 1-butyl-5-methylpyrazole-3-carboxylate

Names & synonyms

SCHEMBL1232307ZRMJUCOOLHJTNV-UHFFFAOYSA-Nethyl 1-butyl-5-methyl-1H-pyrazole-3-carboxylate

Database identifiers

PubChem CID
66958271

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
15

Related reactions

7 records
New reaction record

Compound notes

Loading…