ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate

C11H16N2O2 — CID 23402497

IUPACethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CCCC2)[nH]n1
InChIInChI=1S/C11H16N2O2/c1-2-15-11(14)10-7-9(12-13-10)8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyKVDQYBGNOOJTEM-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.24
Rot. Bonds3

About ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate

ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate (PubChem CID 23402497) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
PubChem CID23402497
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CCCC2)[nH]n1
InChIInChI=1S/C11H16N2O2/c1-2-15-11(14)10-7-9(12-13-10)8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyKVDQYBGNOOJTEM-UHFFFAOYSA-N
XLogP2.24
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate (CID 23402497) is ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc(C2CCCC2)[nH]n1.
What is the InChIKey of ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate?
The InChIKey is KVDQYBGNOOJTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-15-11(14)10-7-9(12-13-10)8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate?
ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 23402497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).