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

C14H17N3O3 — CID 2534560

IUPAC[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-3-17(4-2)12(18)9-20-14(19)13-10-7-5-6-8-11(10)15-16-13/h5-8H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyILCIQNGKEBUQOB-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.59
Rot. Bonds5

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

[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2534560) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2534560
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-3-17(4-2)12(18)9-20-14(19)13-10-7-5-6-8-11(10)15-16-13/h5-8H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyILCIQNGKEBUQOB-UHFFFAOYSA-N
XLogP1.59
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288074
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288144
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 16525603
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7853627
3-methylbutyl 1H-indazole-3-carboxylate
CID 46638341
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
ethyl 2-(1H-indazol-3-yl)-2-oxoacetate
CID 70319285
[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2626910
[2-(diethylamino)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2588325
[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288001
[2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2346483

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2534560) is [2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is CCN(CC)C(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is ILCIQNGKEBUQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-17(4-2)12(18)9-20-14(19)13-10-7-5-6-8-11(10)15-16-13/h5-8H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of [2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2534560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).