[2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate

C19H19N3O3 — CID 2087512

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-2-22(12-14-8-4-3-5-9-14)17(23)13-25-19(24)18-15-10-6-7-11-16(15)20-21-18/h3-11H,2,12-13H2,1H3,(H,20,21)
InChIKeyGVLXVMIPAPKXRT-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.77
Rot. Bonds6

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2087512) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2087512
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-2-22(12-14-8-4-3-5-9-14)17(23)13-25-19(24)18-15-10-6-7-11-16(15)20-21-18/h3-11H,2,12-13H2,1H3,(H,20,21)
InChIKeyGVLXVMIPAPKXRT-UHFFFAOYSA-N
XLogP2.77
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2087512) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate is CCN(Cc1ccccc1)C(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is GVLXVMIPAPKXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-22(12-14-8-4-3-5-9-14)17(23)13-25-19(24)18-15-10-6-7-11-16(15)20-21-18/h3-11H,2,12-13H2,1H3,(H,20,21).
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2087512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).