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

C18H17N3O3 — CID 2355489

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)NCCc1ccccc1
InChIInChI=1S/C18H17N3O3/c22-16(19-11-10-13-6-2-1-3-7-13)12-24-18(23)17-14-8-4-5-9-15(14)20-21-17/h1-9H,10-12H2,(H,19,22)(H,20,21)
InChIKeyCSOPLVIUGSNISD-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.08
Rot. Bonds6

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

[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indazole-3-carboxylate (PubChem CID 2355489) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indazole-3-carboxylate
PubChem CID2355489
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)NCCc1ccccc1
InChIInChI=1S/C18H17N3O3/c22-16(19-11-10-13-6-2-1-3-7-13)12-24-18(23)17-14-8-4-5-9-15(14)20-21-17/h1-9H,10-12H2,(H,19,22)(H,20,21)
InChIKeyCSOPLVIUGSNISD-UHFFFAOYSA-N
XLogP2.08
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1H-indazole-3-carboxylate
CID 657476
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[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
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[2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2096530
[2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate
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[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2425270
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 42601208
ethyl 1H-indazole-3-carboxylate
CID 78251
6-fluoro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide
CID 71112268
6-fluoro-1H-indazole-3-carboxylic acid ((R)-2-fluoro-4-morpholin-2-yl-phenyl)-amide
CID 71112455
[2-(4-ethylphenyl)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2116799
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2117922

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indazole-3-carboxylate (CID 2355489) is [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indazole-3-carboxylate is O=C(COC(=O)c1n[nH]c2ccccc12)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indazole-3-carboxylate?
The InChIKey is CSOPLVIUGSNISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-16(19-11-10-13-6-2-1-3-7-13)12-24-18(23)17-14-8-4-5-9-15(14)20-21-17/h1-9H,10-12H2,(H,19,22)(H,20,21).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 1H-indazole-3-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indazole-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.08, 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-phenylethylamino)ethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2355489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).