2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine

C13H23N3O — CID 164885762

IUPAC2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine
SMILESNCCOc1cnn(CCC2CCCCC2)c1
InChIInChI=1S/C13H23N3O/c14-7-9-17-13-10-15-16(11-13)8-6-12-4-2-1-3-5-12/h10-12H,1-9,14H2
InChIKeyFSBZJOZEPOFDOM-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.19
Rot. Bonds6

About 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine

2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine (PubChem CID 164885762) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine
PubChem CID164885762
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine
SMILESNCCOc1cnn(CCC2CCCCC2)c1
InChIInChI=1S/C13H23N3O/c14-7-9-17-13-10-15-16(11-13)8-6-12-4-2-1-3-5-12/h10-12H,1-9,14H2
InChIKeyFSBZJOZEPOFDOM-UHFFFAOYSA-N
XLogP2.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine (CID 164885762) is 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine is NCCOc1cnn(CCC2CCCCC2)c1.
What is the InChIKey of 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine?
The InChIKey is FSBZJOZEPOFDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c14-7-9-17-13-10-15-16(11-13)8-6-12-4-2-1-3-5-12/h10-12H,1-9,14H2.
What are the key properties of 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine?
2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine is sourced from PubChem (CID 164885762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).