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

C13H15N3O3 — CID 2117945

IUPAC[2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate
SMILESCCCNC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-2-7-14-11(17)8-19-13(18)12-9-5-3-4-6-10(9)15-16-12/h3-6H,2,7-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyRPWIXJUNJSRTRD-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.25
Rot. Bonds5

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

[2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate (PubChem CID 2117945) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate
PubChem CID2117945
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name[2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate
SMILESCCCNC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-2-7-14-11(17)8-19-13(18)12-9-5-3-4-6-10(9)15-16-12/h3-6H,2,7-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyRPWIXJUNJSRTRD-UHFFFAOYSA-N
XLogP1.25
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1H-indazole-3-carboxylate
CID 657476
(1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1H-indazole-3-carboxylate
CID 11508052
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
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[2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
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[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2425270
N-(2-methoxyethyl)-1H-indazole-3-carboxamide
CID 2595305
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 42601208
ethyl 1H-indazole-3-carboxylate
CID 78251
Mdmb-inaca
CID 167713261
[2-(4-ethylphenyl)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2116799
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2117922
[2-(2,5-difluorophenyl)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2457604

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate (CID 2117945) is [2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate is CCCNC(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate?
The InChIKey is RPWIXJUNJSRTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-7-14-11(17)8-19-13(18)12-9-5-3-4-6-10(9)15-16-12/h3-6H,2,7-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate?
[2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2117945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).