ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate

C14H14N2O4 — CID 59587831

IUPACethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1COc1cccc(OC)c1-2
InChIInChI=1S/C14H14N2O4/c1-3-19-14(17)13-8-7-20-10-6-4-5-9(18-2)11(10)12(8)15-16-13/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyGILFADGKGILPIU-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.15
Rot. Bonds3

About ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate

ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate (PubChem CID 59587831) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate
PubChem CID59587831
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Nameethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1COc1cccc(OC)c1-2
InChIInChI=1S/C14H14N2O4/c1-3-19-14(17)13-8-7-20-10-6-4-5-9(18-2)11(10)12(8)15-16-13/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyGILFADGKGILPIU-UHFFFAOYSA-N
XLogP2.15
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-methoxy-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazole-3-carboxylate
CID 82250216
ethyl 6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate
CID 163198497
ethyl 5-(2-methoxyphenyl)-4,6-dioxo-2H-pyrrolo[3,4-c]pyrazole-3-carboxylate
CID 46887761
ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate
CID 20812265
ethyl 3,4-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaene-5-carboxylate
CID 164806552
ethyl 4-(3-methoxy-2-propylphenoxy)-1H-triazole-5-carboxylate
CID 170994018
ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate
CID 154276205
ethyl 5-(3-bromo-4-methoxyphenyl)-4,6-dioxo-2H-pyrrolo[3,4-c]pyrazole-3-carboxylate
CID 5350194
ethane;ethyl 4-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 171093697
ethyl 3-(4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxylate
CID 69402118
ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate
CID 132961390
ethyl 4-(aminomethyl)-3-phenyl-1H-pyrazole-5-carboxylate
CID 91501788

Frequently Asked Questions

What is the IUPAC name of ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate?
The IUPAC name of ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate (CID 59587831) is ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate is CCOC(=O)c1[nH]nc2c1COc1cccc(OC)c1-2.
What is the InChIKey of ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate?
The InChIKey is GILFADGKGILPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-19-14(17)13-8-7-20-10-6-4-5-9(18-2)11(10)12(8)15-16-13/h4-6H,3,7H2,1-2H3,(H,15,16).
What are the key properties of ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate?
ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate is sourced from PubChem (CID 59587831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).