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methyl 1-cyclohexyl-1H-pyrazole-4-carboxylate

HCID 57736384
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cnn(C2CCCCC2)c1
InChIKey
RZILDZNRCUNQST-UHFFFAOYSA-N
Molecular formula
C11H16N2O2
Average molar mass
208.26 g/mol

Names & identifiers

Preferred name
methyl 1-cyclohexyl-1H-pyrazole-4-carboxylate
IUPAC
methyl 1-cyclohexylpyrazole-4-carboxylate

Names & synonyms

methyl 1-cyclohexyl-1H-pyrazole-4-carboxylateSCHEMBL3766078RZILDZNRCUNQST-UHFFFAOYSA-NDB-416778861135-98-0

Database identifiers

PubChem CID
57736384

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
227

Related reactions

3 records
New reaction record
HRID 308608 reaction equation
HRID 308608As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 2261315 reaction equation
HRID 2261315As productuspto-grants-2010_12
HRID 2261316 reaction equation
HRID 2261316As reactantuspto-grants-2010_12

Compound notes

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