methyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate

C24H22N2O2 — CID 134611923

IUPACmethyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2ccc(CCc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C24H22N2O2/c1-28-23(27)17-26-22-10-6-5-9-21(22)24(25-26)20-15-13-19(14-16-20)12-11-18-7-3-2-4-8-18/h2-10,13-16H,11-12,17H2,1H3
InChIKeyGVTQGSDWWMIWHU-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.66
Rot. Bonds6

About methyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate

methyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate (PubChem CID 134611923) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate
PubChem CID134611923
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Namemethyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2ccc(CCc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C24H22N2O2/c1-28-23(27)17-26-22-10-6-5-9-21(22)24(25-26)20-15-13-19(14-16-20)12-11-18-7-3-2-4-8-18/h2-10,13-16H,11-12,17H2,1H3
InChIKeyGVTQGSDWWMIWHU-UHFFFAOYSA-N
XLogP4.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate (CID 134611923) is methyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate is COC(=O)Cn1nc(-c2ccc(CCc3ccccc3)cc2)c2ccccc21.
What is the InChIKey of methyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate?
The InChIKey is GVTQGSDWWMIWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-28-23(27)17-26-22-10-6-5-9-21(22)24(25-26)20-15-13-19(14-16-20)12-11-18-7-3-2-4-8-18/h2-10,13-16H,11-12,17H2,1H3.
What are the key properties of methyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate?
methyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate has a molecular weight of 370.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[4-(2-phenylethyl)phenyl]indazol-1-yl]acetate is sourced from PubChem (CID 134611923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).