methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate

C23H20N2O2 — CID 59252820

IUPACmethyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate
SMILESCOC(=O)C(c1ccccc1)C(c1ccccc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C23H20N2O2/c1-27-23(26)22(17-10-6-3-7-11-17)21(16-8-4-2-5-9-16)18-12-13-20-19(14-18)15-24-25-20/h2-15,21-22H,1H3,(H,24,25)
InChIKeySYCCDHLLSNYTHP-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.65
Rot. Bonds5

About methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate

methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate (PubChem CID 59252820) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate
PubChem CID59252820
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Namemethyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate
SMILESCOC(=O)C(c1ccccc1)C(c1ccccc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C23H20N2O2/c1-27-23(26)22(17-10-6-3-7-11-17)21(16-8-4-2-5-9-16)18-12-13-20-19(14-18)15-24-25-20/h2-15,21-22H,1H3,(H,24,25)
InChIKeySYCCDHLLSNYTHP-UHFFFAOYSA-N
XLogP4.65
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate?
The IUPAC name of methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate (CID 59252820) is methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate.
What is the SMILES notation for methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate?
The canonical SMILES for methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate is COC(=O)C(c1ccccc1)C(c1ccccc1)c1ccc2[nH]ncc2c1.
What is the InChIKey of methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate?
The InChIKey is SYCCDHLLSNYTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-27-23(26)22(17-10-6-3-7-11-17)21(16-8-4-2-5-9-16)18-12-13-20-19(14-18)15-24-25-20/h2-15,21-22H,1H3,(H,24,25).
What are the key properties of methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate?
methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate has a molecular weight of 356.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate is sourced from PubChem (CID 59252820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).