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

C12H12N4O4 — CID 2096530

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H12N4O4/c1-13-12(19)14-9(17)6-20-11(18)10-7-4-2-3-5-8(7)15-16-10/h2-5H,6H2,1H3,(H,15,16)(H2,13,14,17,19)
InChIKeyLSCMKGHWFFIBLB-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.18
Rot. Bonds3

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

[2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2096530) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2096530
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H12N4O4/c1-13-12(19)14-9(17)6-20-11(18)10-7-4-2-3-5-8(7)15-16-10/h2-5H,6H2,1H3,(H,15,16)(H2,13,14,17,19)
InChIKeyLSCMKGHWFFIBLB-UHFFFAOYSA-N
XLogP0.18
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1H-indazole-3-carboxylate
CID 657476
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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
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ethyl 1H-indazole-3-carboxylate
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[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
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[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2998731
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2998963
[1-(4-methylanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 16525542
[2-(3,5-dimethylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
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[2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2099069

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2096530) is [2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is CNC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is LSCMKGHWFFIBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-13-12(19)14-9(17)6-20-11(18)10-7-4-2-3-5-8(7)15-16-10/h2-5H,6H2,1H3,(H,15,16)(H2,13,14,17,19).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 276.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2096530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).