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

C16H18N2O4 — CID 102434116

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

Analyze ethyl 7-(3-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate with MolForge

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Related Compounds

ethyl (7R)-7-(4-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 132255165
Ethyl 5-(4-methoxyphenyl)-2,3-dihydro-1h,5h-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 12084032
Methyl 5-(2-methoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
CID 101095704
Methyl 3,3-dimethyl-1-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
CID 101095705
Methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
CID 101095710
ethyl 7-(4-methoxyphenyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 101793277
Ethyl 5-(4-methoxyphenyl)-3,3-dimethyl-1-oxo-2,5-dihydropyrazolo[1,2-a]pyrazole-6-carboxylate
CID 134941887
tert-butyl 7-(3-methoxyphenyl)-3-oxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 102050018
Ethyl 3-[3-(dimethylcarbamoyloxy)phenyl]-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 68820398
(7R)-7-ethyl-7-(4-methoxyphenyl)-3-oxo-1,2-dihydropyrazolo[1,2-a]pyrazole-6-carboxylic acid
CID 132255164
butyl 1-[(1S)-1-(3-methoxyphenyl)ethyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylate
CID 139538156
Butyl 1-[1-(3-methoxyphenyl)ethyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylate
CID 141518285

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).