4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one

C71H80N8O17 — CID 123314638

IUPAC4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one
SMILESCCCCc1cc(=O)oc2c1C(COC)=NC2.CCCCc1cc(=O)oc2c1C(OCC)=NC2.CCCCc1cc(=O)oc2c1c(OCC)nn2-c1ccc([N+](=O)[O-])cc1.CCOC(=O)c1nn(-c2ccccc2)c2oc(=O)cc(CC)c12.CCc1cc(=O)oc2c1C(C)=NC2
InChIInChI=1S/C18H19N3O5.C17H16N2O4.2C13H17NO3.C10H11NO2/c1-3-5-6-12-11-15(22)26-18-16(12)17(25-4-2)19-20(18)13-7-9-14(10-8-13)21(23)24;1-3-11-10-13(20)23-16-14(11)15(17(21)22-4-2)18-19(16)12-8-6-5-7-9-12;1-3-4-5-9-6-12(15)17-11-7-14-10(8-16-2)13(9)11;1-3-5-6-9-7-11(15)17-10-8-14-13(12(9)10)16-4-2;1-3-7-4-9(12)13-8-5-11-6(2)10(7)8/h7-11H,3-6H2,1-2H3;5-10H,3-4H2,1-2H3;6H,3-5,7-8H2,1-2H3;7H,3-6,8H2,1-2H3;4H,3,5H2,1-2H3
InChIKeyHORRJYCJYWNGIL-UHFFFAOYSA-N
MW1317.46 g/mol
LogP12.08
Rot. Bonds21

About 4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one

4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one (PubChem CID 123314638) has the molecular formula C71H80N8O17 and a molecular weight of 1317.46 g/mol. Its IUPAC name is 4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one.

Molecular Properties

Compound Name4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one
PubChem CID123314638
Molecular FormulaC71H80N8O17
Molecular Weight1317.46 g/mol
Exact Mass1316.56
IUPAC Name4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one
SMILESCCCCc1cc(=O)oc2c1C(COC)=NC2.CCCCc1cc(=O)oc2c1C(OCC)=NC2.CCCCc1cc(=O)oc2c1c(OCC)nn2-c1ccc([N+](=O)[O-])cc1.CCOC(=O)c1nn(-c2ccccc2)c2oc(=O)cc(CC)c12.CCc1cc(=O)oc2c1C(C)=NC2
InChIInChI=1S/C18H19N3O5.C17H16N2O4.2C13H17NO3.C10H11NO2/c1-3-5-6-12-11-15(22)26-18-16(12)17(25-4-2)19-20(18)13-7-9-14(10-8-13)21(23)24;1-3-11-10-13(20)23-16-14(11)15(17(21)22-4-2)18-19(16)12-8-6-5-7-9-12;1-3-4-5-9-6-12(15)17-11-7-14-10(8-16-2)13(9)11;1-3-5-6-9-7-11(15)17-10-8-14-13(12(9)10)16-4-2;1-3-7-4-9(12)13-8-5-11-6(2)10(7)8/h7-11H,3-6H2,1-2H3;5-10H,3-4H2,1-2H3;6H,3-5,7-8H2,1-2H3;7H,3-6,8H2,1-2H3;4H,3,5H2,1-2H3
InChIKeyHORRJYCJYWNGIL-UHFFFAOYSA-N
XLogP12.08
TPSA320.90 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001317.46
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one?
The IUPAC name of 4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one (CID 123314638) is 4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one.
What is the SMILES notation for 4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one?
The canonical SMILES for 4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one is CCCCc1cc(=O)oc2c1C(COC)=NC2.CCCCc1cc(=O)oc2c1C(OCC)=NC2.CCCCc1cc(=O)oc2c1c(OCC)nn2-c1ccc([N+](=O)[O-])cc1.CCOC(=O)c1nn(-c2ccccc2)c2oc(=O)cc(CC)c12.CCc1cc(=O)oc2c1C(C)=NC2.
What is the InChIKey of 4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one?
The InChIKey is HORRJYCJYWNGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5.C17H16N2O4.2C13H17NO3.C10H11NO2/c1-3-5-6-12-11-15(22)26-18-16(12)17(25-4-2)19-20(18)13-7-9-14(10-8-13)21(23)24;1-3-11-10-13(20)23-16-14(11)15(17(21)22-4-2)18-19(16)12-8-6-5-7-9-12;1-3-4-5-9-6-12(15)17-11-7-14-10(8-16-2)13(9)11;1-3-5-6-9-7-11(15)17-10-8-14-13(12(9)10)16-4-2;1-3-7-4-9(12)13-8-5-11-6(2)10(7)8/h7-11H,3-6H2,1-2H3;5-10H,3-4H2,1-2H3;6H,3-5,7-8H2,1-2H3;7H,3-6,8H2,1-2H3;4H,3,5H2,1-2H3.
What are the key properties of 4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one?
4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one has a molecular weight of 1317.46 g/mol, XLogP of 12.08, 21 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one is sourced from PubChem (CID 123314638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).