methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate

C15H16N2O2 — CID 78292345

IUPACmethyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
SMILESCOC(=O)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)14-9-13(16-17-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14,16-17H,9H2,1H3
InChIKeyJPGBEOSHDKVYKC-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.92
Rot. Bonds2

About methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate

methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate (PubChem CID 78292345) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
PubChem CID78292345
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
SMILESCOC(=O)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)14-9-13(16-17-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14,16-17H,9H2,1H3
InChIKeyJPGBEOSHDKVYKC-UHFFFAOYSA-N
XLogP1.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate?
The IUPAC name of methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate (CID 78292345) is methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate.
What is the SMILES notation for methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate?
The canonical SMILES for methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate is COC(=O)C1CC(c2cccc3ccccc23)NN1.
What is the InChIKey of methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate?
The InChIKey is JPGBEOSHDKVYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-15(18)14-9-13(16-17-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14,16-17H,9H2,1H3.
What are the key properties of methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate?
methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate is sourced from PubChem (CID 78292345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).