[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate

C20H20N2O3 — CID 7956407

IUPAC[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC[C@@H](C)c1ccc(C(=O)COC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-3-13(2)14-8-10-15(11-9-14)18(23)12-25-20(24)19-16-6-4-5-7-17(16)21-22-19/h4-11,13H,3,12H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyVSWNZMCVOUIBHG-CYBMUJFWSA-N
MW336.39 g/mol
LogP4.12
Rot. Bonds6

About [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate

[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 7956407) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID7956407
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC[C@@H](C)c1ccc(C(=O)COC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-3-13(2)14-8-10-15(11-9-14)18(23)12-25-20(24)19-16-6-4-5-7-17(16)21-22-19/h4-11,13H,3,12H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyVSWNZMCVOUIBHG-CYBMUJFWSA-N
XLogP4.12
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2479149
[2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate
CID 16525548
[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534560
[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2626910
[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288074
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 7783025
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7649508
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7956451
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7235300
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 25345206
[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 26677296

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate (CID 7956407) is [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate is CC[C@@H](C)c1ccc(C(=O)COC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is VSWNZMCVOUIBHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-13(2)14-8-10-15(11-9-14)18(23)12-25-20(24)19-16-6-4-5-7-17(16)21-22-19/h4-11,13H,3,12H2,1-2H3,(H,21,22)/t13-/m1/s1.
What are the key properties of [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 7956407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).