ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate

C17H20N2O2 — CID 20812265

IUPACethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1Cc1c(C)c(C)c(C)c(C)c1-2
InChIInChI=1S/C17H20N2O2/c1-6-21-17(20)16-13-7-12-10(4)8(2)9(3)11(5)14(12)15(13)18-19-16/h6-7H2,1-5H3,(H,18,19)
InChIKeyZFPFWQQYELUOAY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.39
Rot. Bonds2

About ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate

ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate (PubChem CID 20812265) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate
PubChem CID20812265
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1Cc1c(C)c(C)c(C)c(C)c1-2
InChIInChI=1S/C17H20N2O2/c1-6-21-17(20)16-13-7-12-10(4)8(2)9(3)11(5)14(12)15(13)18-19-16/h6-7H2,1-5H3,(H,18,19)
InChIKeyZFPFWQQYELUOAY-UHFFFAOYSA-N
XLogP3.39
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate with MolForge

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Related Compounds

ethane;ethyl 7-oxo-2,4,5,6-tetrahydroindazole-3-carboxylate
CID 91263749
ethyl 6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate
CID 163198497
CID 171523002
CID 171523002
ethyl 9-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylate
CID 59587831
ethyl 3-(4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxylate
CID 69402118
ethane;ethyl 4-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 171093697
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 3,5-bis(4-methylphenyl)-4-oxo-1H-pyridazine-6-carboxylate
CID 132961393
ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate
CID 154276205
ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate
CID 137012585
ethyl 4-methyl-3-(oxan-2-yloxy)-1H-pyrazole-5-carboxylate
CID 102538257
ethyl 4-(aminomethyl)-3-phenyl-1H-pyrazole-5-carboxylate
CID 91501788

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate (CID 20812265) is ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate is CCOC(=O)c1[nH]nc2c1Cc1c(C)c(C)c(C)c(C)c1-2.
What is the InChIKey of ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate?
The InChIKey is ZFPFWQQYELUOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-6-21-17(20)16-13-7-12-10(4)8(2)9(3)11(5)14(12)15(13)18-19-16/h6-7H2,1-5H3,(H,18,19).
What are the key properties of ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate?
ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate is sourced from PubChem (CID 20812265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).