[2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate

C17H15N3O3 — CID 2378569

IUPAC[2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCN(C(=O)COC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C17H15N3O3/c1-20(12-7-3-2-4-8-12)15(21)11-23-17(22)16-13-9-5-6-10-14(13)18-19-16/h2-10H,11H2,1H3,(H,18,19)
InChIKeyKZMIAOIKZQYAQM-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.38
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2378569) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2378569
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCN(C(=O)COC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C17H15N3O3/c1-20(12-7-3-2-4-8-12)15(21)11-23-17(22)16-13-9-5-6-10-14(13)18-19-16/h2-10H,11H2,1H3,(H,18,19)
InChIKeyKZMIAOIKZQYAQM-UHFFFAOYSA-N
XLogP2.38
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 1H-indazole-3-carboxylate
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[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1H-indazole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2378569) is [2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate is CN(C(=O)COC(=O)c1n[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is KZMIAOIKZQYAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-20(12-7-3-2-4-8-12)15(21)11-23-17(22)16-13-9-5-6-10-14(13)18-19-16/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2378569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).