[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate

C15H16N4O3 — CID 9288144

IUPAC[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCN(C(=O)COC(=O)c1n[nH]c2ccccc12)C(C)(C)C#N
InChIInChI=1S/C15H16N4O3/c1-15(2,9-16)19(3)12(20)8-22-14(21)13-10-6-4-5-7-11(10)17-18-13/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyADZYMPDMUARNFF-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.48
Rot. Bonds4

About [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate

[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 9288144) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID9288144
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCN(C(=O)COC(=O)c1n[nH]c2ccccc12)C(C)(C)C#N
InChIInChI=1S/C15H16N4O3/c1-15(2,9-16)19(3)12(20)8-22-14(21)13-10-6-4-5-7-11(10)17-18-13/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyADZYMPDMUARNFF-UHFFFAOYSA-N
XLogP1.48
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534560
[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288074
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 16525603
[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288001
(3-cyano-4-imino-2-oxopentyl) 1H-indazole-3-carboxylate
CID 7927625
3-methylbutyl 1H-indazole-3-carboxylate
CID 46638341
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200439
[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2626910
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288047
2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 62818630
N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide
CID 60655163

Frequently Asked Questions

What is the IUPAC name of [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate (CID 9288144) is [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate is CN(C(=O)COC(=O)c1n[nH]c2ccccc12)C(C)(C)C#N.
What is the InChIKey of [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is ADZYMPDMUARNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-15(2,9-16)19(3)12(20)8-22-14(21)13-10-6-4-5-7-11(10)17-18-13/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 300.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 9288144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).