ethyl 5-cyclopropylpyrazolidine-3-carboxylate

C9H16N2O2 — CID 19261694

IUPACethyl 5-cyclopropylpyrazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(C2CC2)NN1
InChIInChI=1S/C9H16N2O2/c1-2-13-9(12)8-5-7(10-11-8)6-3-4-6/h6-8,10-11H,2-5H2,1H3
InChIKeyGUSJYROHSNEVSO-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.19
Rot. Bonds3

About ethyl 5-cyclopropylpyrazolidine-3-carboxylate

ethyl 5-cyclopropylpyrazolidine-3-carboxylate (PubChem CID 19261694) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is ethyl 5-cyclopropylpyrazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropylpyrazolidine-3-carboxylate
PubChem CID19261694
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameethyl 5-cyclopropylpyrazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(C2CC2)NN1
InChIInChI=1S/C9H16N2O2/c1-2-13-9(12)8-5-7(10-11-8)6-3-4-6/h6-8,10-11H,2-5H2,1H3
InChIKeyGUSJYROHSNEVSO-UHFFFAOYSA-N
XLogP0.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-acetylpyrazolidine-3-carboxylate
CID 170905904
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
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CID 11107465
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
ethyl (1S,3S,4R,6S)-6-hydroxy-2-azabicyclo[2.2.2]octane-3-carboxylate
CID 153347708
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276
ethyl piperazine-2-carboxylate
CID 10633257
ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate
CID 69301071
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropylpyrazolidine-3-carboxylate?
The IUPAC name of ethyl 5-cyclopropylpyrazolidine-3-carboxylate (CID 19261694) is ethyl 5-cyclopropylpyrazolidine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropylpyrazolidine-3-carboxylate?
The canonical SMILES for ethyl 5-cyclopropylpyrazolidine-3-carboxylate is CCOC(=O)C1CC(C2CC2)NN1.
What is the InChIKey of ethyl 5-cyclopropylpyrazolidine-3-carboxylate?
The InChIKey is GUSJYROHSNEVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-13-9(12)8-5-7(10-11-8)6-3-4-6/h6-8,10-11H,2-5H2,1H3.
What are the key properties of ethyl 5-cyclopropylpyrazolidine-3-carboxylate?
ethyl 5-cyclopropylpyrazolidine-3-carboxylate has a molecular weight of 184.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropylpyrazolidine-3-carboxylate is sourced from PubChem (CID 19261694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).