ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate

C14H21N3O2 — CID 141119346

IUPACethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate
SMILESCCOC(=O)CCn1ccc(C=C2CCCNC2)n1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(18)6-9-17-8-5-13(16-17)10-12-4-3-7-15-11-12/h5,8,10,15H,2-4,6-7,9,11H2,1H3
InChIKeyDZROCPQLJMYRIC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.60
Rot. Bonds5

About ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate

ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate (PubChem CID 141119346) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate
PubChem CID141119346
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate
SMILESCCOC(=O)CCn1ccc(C=C2CCCNC2)n1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(18)6-9-17-8-5-13(16-17)10-12-4-3-7-15-11-12/h5,8,10,15H,2-4,6-7,9,11H2,1H3
InChIKeyDZROCPQLJMYRIC-UHFFFAOYSA-N
XLogP1.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate?
The IUPAC name of ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate (CID 141119346) is ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate?
The canonical SMILES for ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate is CCOC(=O)CCn1ccc(C=C2CCCNC2)n1.
What is the InChIKey of ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate?
The InChIKey is DZROCPQLJMYRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-19-14(18)6-9-17-8-5-13(16-17)10-12-4-3-7-15-11-12/h5,8,10,15H,2-4,6-7,9,11H2,1H3.
What are the key properties of ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate?
ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate has a molecular weight of 263.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate is sourced from PubChem (CID 141119346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).