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

C16H19N3O3 — CID 2377716

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)NC1CCCCC1
InChIInChI=1S/C16H19N3O3/c20-14(17-11-6-2-1-3-7-11)10-22-16(21)15-12-8-4-5-9-13(12)18-19-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,20)(H,18,19)
InChIKeyTVPAQLQZQOMCJH-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.17
Rot. Bonds4

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

[2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2377716) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2377716
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)NC1CCCCC1
InChIInChI=1S/C16H19N3O3/c20-14(17-11-6-2-1-3-7-11)10-22-16(21)15-12-8-4-5-9-13(12)18-19-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,20)(H,18,19)
InChIKeyTVPAQLQZQOMCJH-UHFFFAOYSA-N
XLogP2.17
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.17
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
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[2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate
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CID 2425270
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 42601208
ethyl 1H-indazole-3-carboxylate
CID 78251
[2-(4-ethylphenyl)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2116799
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2117922
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2161552
[2-(Methylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 2427703

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2377716) is [2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is O=C(COC(=O)c1n[nH]c2ccccc12)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is TVPAQLQZQOMCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-14(17-11-6-2-1-3-7-11)10-22-16(21)15-12-8-4-5-9-13(12)18-19-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,20)(H,18,19).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2377716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).