ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate

C14H23N3O2 — CID 71873670

IUPACethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NCCn2cccn2)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-2-19-13(18)14(7-4-3-5-8-14)15-10-12-17-11-6-9-16-17/h6,9,11,15H,2-5,7-8,10,12H2,1H3
InChIKeyUKQBRDXLRKMLAS-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.74
Rot. Bonds6

About ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate

ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate (PubChem CID 71873670) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate
PubChem CID71873670
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NCCn2cccn2)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-2-19-13(18)14(7-4-3-5-8-14)15-10-12-17-11-6-9-16-17/h6,9,11,15H,2-5,7-8,10,12H2,1H3
InChIKeyUKQBRDXLRKMLAS-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate (CID 71873670) is ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate is CCOC(=O)C1(NCCn2cccn2)CCCCC1.
What is the InChIKey of ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate?
The InChIKey is UKQBRDXLRKMLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-19-13(18)14(7-4-3-5-8-14)15-10-12-17-11-6-9-16-17/h6,9,11,15H,2-5,7-8,10,12H2,1H3.
What are the key properties of ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate?
ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 71873670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).