[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate

C18H23N3O3 — CID 4226645

IUPAC[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC1CCCC(NC(=O)COC(=O)c2n[nH]c3ccccc23)C1C
InChIInChI=1S/C18H23N3O3/c1-11-6-5-9-14(12(11)2)19-16(22)10-24-18(23)17-13-7-3-4-8-15(13)20-21-17/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRSHVCDFUEXOSBW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.66
Rot. Bonds4

About [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 4226645) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID4226645
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC1CCCC(NC(=O)COC(=O)c2n[nH]c3ccccc23)C1C
InChIInChI=1S/C18H23N3O3/c1-11-6-5-9-14(12(11)2)19-16(22)10-24-18(23)17-13-7-3-4-8-15(13)20-21-17/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRSHVCDFUEXOSBW-UHFFFAOYSA-N
XLogP2.66
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.66
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
CID 2085783
[2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2096530
[2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate
CID 2117945
[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
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-(2,5-difluorophenyl)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2457604
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534514

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate (CID 4226645) is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate is CC1CCCC(NC(=O)COC(=O)c2n[nH]c3ccccc23)C1C.
What is the InChIKey of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is RSHVCDFUEXOSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-6-5-9-14(12(11)2)19-16(22)10-24-18(23)17-13-7-3-4-8-15(13)20-21-17/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 4226645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).