[(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate

C22H16N2O3 — CID 7956396

IUPAC[(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate
SMILESO=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1n[nH]c2ccccc12
InChIInChI=1S/C22H16N2O3/c25-20(15-9-3-1-4-10-15)21(16-11-5-2-6-12-16)27-22(26)19-17-13-7-8-14-18(17)23-24-19/h1-14,21H,(H,23,24)/t21-/m0/s1
InChIKeyQPVPXZYQFUQFGH-NRFANRHFSA-N
MW356.38 g/mol
LogP4.34
Rot. Bonds5

About [(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate

[(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate (PubChem CID 7956396) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is [(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate
PubChem CID7956396
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name[(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate
SMILESO=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1n[nH]c2ccccc12
InChIInChI=1S/C22H16N2O3/c25-20(15-9-3-1-4-10-15)21(16-11-5-2-6-12-16)27-22(26)19-17-13-7-8-14-18(17)23-24-19/h1-14,21H,(H,23,24)/t21-/m0/s1
InChIKeyQPVPXZYQFUQFGH-NRFANRHFSA-N
XLogP4.34
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate
CID 16578204
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 25345206
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 1H-indazole-3-carboxylate
CID 7649472
[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 25350599
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7372650
[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630767
[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 27010664
2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide
CID 70003465
[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
CID 849635
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
[2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate
CID 16525548

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate (CID 7956396) is [(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate is O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1n[nH]c2ccccc12.
What is the InChIKey of [(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate?
The InChIKey is QPVPXZYQFUQFGH-NRFANRHFSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-20(15-9-3-1-4-10-15)21(16-11-5-2-6-12-16)27-22(26)19-17-13-7-8-14-18(17)23-24-19/h1-14,21H,(H,23,24)/t21-/m0/s1.
What are the key properties of [(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate?
[(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 7956396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).