(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate

C17H14N2O3 — CID 16578204

IUPAC(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate
SMILESCC(OC(=O)c1n[nH]c2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C17H14N2O3/c1-11(16(20)12-7-3-2-4-8-12)22-17(21)15-13-9-5-6-10-14(13)18-19-15/h2-11H,1H3,(H,18,19)
InChIKeyNUPVOTDBCPCPLO-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.99
Rot. Bonds4

About (1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate

(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate (PubChem CID 16578204) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate
PubChem CID16578204
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate
SMILESCC(OC(=O)c1n[nH]c2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C17H14N2O3/c1-11(16(20)12-7-3-2-4-8-12)22-17(21)15-13-9-5-6-10-14(13)18-19-15/h2-11H,1H3,(H,18,19)
InChIKeyNUPVOTDBCPCPLO-UHFFFAOYSA-N
XLogP2.99
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 25345206
[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 25350599
[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 27010664
[(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate
CID 7956396
[(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
[(2S)-1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 41082501
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785197
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630770
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2636114
[(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7956506
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2651718

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate (CID 16578204) is (1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate is CC(OC(=O)c1n[nH]c2ccccc12)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate?
The InChIKey is NUPVOTDBCPCPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11(16(20)12-7-3-2-4-8-12)22-17(21)15-13-9-5-6-10-14(13)18-19-15/h2-11H,1H3,(H,18,19).
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate?
(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate is sourced from PubChem (CID 16578204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).