2-cyclohexylethyl 1H-indazole-7-carboxylate

C16H20N2O2 — CID 141204186

IUPAC2-cyclohexylethyl 1H-indazole-7-carboxylate
SMILESO=C(OCCC1CCCCC1)c1cccc2cn[nH]c12
InChIInChI=1S/C16H20N2O2/c19-16(20-10-9-12-5-2-1-3-6-12)14-8-4-7-13-11-17-18-15(13)14/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,17,18)
InChIKeyNPUBFEDOIVTWBG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.69
Rot. Bonds4

About 2-cyclohexylethyl 1H-indazole-7-carboxylate

2-cyclohexylethyl 1H-indazole-7-carboxylate (PubChem CID 141204186) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyclohexylethyl 1H-indazole-7-carboxylate.

Molecular Properties

Compound Name2-cyclohexylethyl 1H-indazole-7-carboxylate
PubChem CID141204186
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-cyclohexylethyl 1H-indazole-7-carboxylate
SMILESO=C(OCCC1CCCCC1)c1cccc2cn[nH]c12
InChIInChI=1S/C16H20N2O2/c19-16(20-10-9-12-5-2-1-3-6-12)14-8-4-7-13-11-17-18-15(13)14/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,17,18)
InChIKeyNPUBFEDOIVTWBG-UHFFFAOYSA-N
XLogP3.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl 1H-indazole-7-carboxylate?
The IUPAC name of 2-cyclohexylethyl 1H-indazole-7-carboxylate (CID 141204186) is 2-cyclohexylethyl 1H-indazole-7-carboxylate.
What is the SMILES notation for 2-cyclohexylethyl 1H-indazole-7-carboxylate?
The canonical SMILES for 2-cyclohexylethyl 1H-indazole-7-carboxylate is O=C(OCCC1CCCCC1)c1cccc2cn[nH]c12.
What is the InChIKey of 2-cyclohexylethyl 1H-indazole-7-carboxylate?
The InChIKey is NPUBFEDOIVTWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(20-10-9-12-5-2-1-3-6-12)14-8-4-7-13-11-17-18-15(13)14/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,17,18).
What are the key properties of 2-cyclohexylethyl 1H-indazole-7-carboxylate?
2-cyclohexylethyl 1H-indazole-7-carboxylate has a molecular weight of 272.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl 1H-indazole-7-carboxylate is sourced from PubChem (CID 141204186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).