[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate

C18H17N3O4 — CID 2377942

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O4/c1-24-13-8-6-12(7-9-13)10-19-16(22)11-25-18(23)17-14-4-2-3-5-15(14)20-21-17/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyZCYZRFCYJMLPJN-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.04
Rot. Bonds6

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2377942) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2377942
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O4/c1-24-13-8-6-12(7-9-13)10-19-16(22)11-25-18(23)17-14-4-2-3-5-15(14)20-21-17/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyZCYZRFCYJMLPJN-UHFFFAOYSA-N
XLogP2.04
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2377942) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate is COc1ccc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is ZCYZRFCYJMLPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-13-8-6-12(7-9-13)10-19-16(22)11-25-18(23)17-14-4-2-3-5-15(14)20-21-17/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2377942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).