[2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate

C19H19N3O3 — CID 16525548

IUPAC[2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate
SMILESCC(CNC(=O)COC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H19N3O3/c1-13(14-7-3-2-4-8-14)11-20-17(23)12-25-19(24)18-15-9-5-6-10-16(15)21-22-18/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyWIEQAPVXRWIPLB-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.64
Rot. Bonds6

About [2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate

[2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate (PubChem CID 16525548) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate
PubChem CID16525548
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name[2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate
SMILESCC(CNC(=O)COC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H19N3O3/c1-13(14-7-3-2-4-8-14)11-20-17(23)12-25-19(24)18-15-9-5-6-10-16(15)21-22-18/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyWIEQAPVXRWIPLB-UHFFFAOYSA-N
XLogP2.64
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
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-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2626910
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534586
[2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785137
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7956451
[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7956407
[2-oxo-2-(2-phenylpropylamino)ethyl] 4-(acetamidomethyl)benzoate
CID 18195635
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate
CID 7971711
3-methylbutyl 1H-indazole-3-carboxylate
CID 46638341
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 4792568
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7372528

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate (CID 16525548) is [2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate is CC(CNC(=O)COC(=O)c1n[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate?
The InChIKey is WIEQAPVXRWIPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(14-7-3-2-4-8-14)11-20-17(23)12-25-19(24)18-15-9-5-6-10-16(15)21-22-18/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of [2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate?
[2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylpropylamino)ethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 16525548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).