2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

C17H27N3O — CID 64779609

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)C1CC2CCC1O2
InChIInChI=1S/C17H27N3O/c18-16(15-11-14-6-7-17(15)21-14)10-12-8-9-20(19-12)13-4-2-1-3-5-13/h8-9,13-17H,1-7,10-11,18H2
InChIKeyXMOALHXIOYFYOE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.83
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (PubChem CID 64779609) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
PubChem CID64779609
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)C1CC2CCC1O2
InChIInChI=1S/C17H27N3O/c18-16(15-11-14-6-7-17(15)21-14)10-12-8-9-20(19-12)13-4-2-1-3-5-13/h8-9,13-17H,1-7,10-11,18H2
InChIKeyXMOALHXIOYFYOE-UHFFFAOYSA-N
XLogP2.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (CID 64779609) is 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is NC(Cc1ccn(C2CCCCC2)n1)C1CC2CCC1O2.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The InChIKey is XMOALHXIOYFYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-16(15-11-14-6-7-17(15)21-14)10-12-8-9-20(19-12)13-4-2-1-3-5-13/h8-9,13-17H,1-7,10-11,18H2.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine has a molecular weight of 289.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is sourced from PubChem (CID 64779609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).