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Ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate

C16H18N2O4 — CID 102434116

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
SMILESCCOC(=O)C1=CN2C(=O)CCN2C1c1cccc(OC)c1
InChIInChI=1S/C16H18N2O4/c1-3-22-16(20)13-10-18-14(19)7-8-17(18)15(13)11-5-4-6-12(9-11)21-2/h4-6,9-10,15H,3,7-8H2,1-2H3
InChIKeyUGDXHEXZGVXUSS-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.65
Rot. Bonds4

About Ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate

Ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate (PubChem CID 102434116) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate.

Molecular Properties

Compound NameEthyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
PubChem CID102434116
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
SMILESCCOC(=O)C1=CN2C(=O)CCN2C1c1cccc(OC)c1
InChIInChI=1S/C16H18N2O4/c1-3-22-16(20)13-10-18-14(19)7-8-17(18)15(13)11-5-4-6-12(9-11)21-2/h4-6,9-10,15H,3,7-8H2,1-2H3
InChIKeyUGDXHEXZGVXUSS-UHFFFAOYSA-N
XLogP1.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate?
The IUPAC name of Ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate (CID 102434116) is ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate.
What is the SMILES notation for Ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate?
The canonical SMILES for Ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate is CCOC(=O)C1=CN2C(=O)CCN2C1c1cccc(OC)c1.
What is the InChIKey of Ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate?
The InChIKey is UGDXHEXZGVXUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-22-16(20)13-10-18-14(19)7-8-17(18)15(13)11-5-4-6-12(9-11)21-2/h4-6,9-10,15H,3,7-8H2,1-2H3.
What are the key properties of Ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate?
Ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate is sourced from PubChem (CID 102434116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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