ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate

C15H18N2O2 — CID 66809847

IUPACethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate
SMILESCCOC(=O)C1=NNC2(CCc3ccccc3C2)C1
InChIInChI=1S/C15H18N2O2/c1-2-19-14(18)13-10-15(17-16-13)8-7-11-5-3-4-6-12(11)9-15/h3-6,17H,2,7-10H2,1H3
InChIKeyIFUNTXZTPYPTQC-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.83
Rot. Bonds2

About ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate

ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate (PubChem CID 66809847) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate.

Molecular Properties

Compound Nameethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate
PubChem CID66809847
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate
SMILESCCOC(=O)C1=NNC2(CCc3ccccc3C2)C1
InChIInChI=1S/C15H18N2O2/c1-2-19-14(18)13-10-15(17-16-13)8-7-11-5-3-4-6-12(11)9-15/h3-6,17H,2,7-10H2,1H3
InChIKeyIFUNTXZTPYPTQC-UHFFFAOYSA-N
XLogP1.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate?
The IUPAC name of ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate (CID 66809847) is ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate.
What is the SMILES notation for ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate?
The canonical SMILES for ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate is CCOC(=O)C1=NNC2(CCc3ccccc3C2)C1.
What is the InChIKey of ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate?
The InChIKey is IFUNTXZTPYPTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-19-14(18)13-10-15(17-16-13)8-7-11-5-3-4-6-12(11)9-15/h3-6,17H,2,7-10H2,1H3.
What are the key properties of ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate?
ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate is sourced from PubChem (CID 66809847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).