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

C13H24ClN3O — CID 164885761

IUPAC2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride
SMILESCl.NCCOc1cnn(CCC2CCCCC2)c1
InChIInChI=1S/C13H23N3O.ClH/c14-7-9-17-13-10-15-16(11-13)8-6-12-4-2-1-3-5-12;/h10-12H,1-9,14H2;1H
InChIKeySCIJOONIENZRHD-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.61
Rot. Bonds6

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

2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride (PubChem CID 164885761) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride
PubChem CID164885761
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride
SMILESCl.NCCOc1cnn(CCC2CCCCC2)c1
InChIInChI=1S/C13H23N3O.ClH/c14-7-9-17-13-10-15-16(11-13)8-6-12-4-2-1-3-5-12;/h10-12H,1-9,14H2;1H
InChIKeySCIJOONIENZRHD-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine
CID 164885762
3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride
CID 164885763
4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine
CID 164576556
[1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine
CID 146194383
2-(1-cyclohexylsulfonylpyrazol-4-yl)oxyethanamine;hydrochloride
CID 164885787
2-(1-pentylpyrazol-4-yl)oxyethanamine
CID 164576517
2-[4-(2-pyrrolidin-1-ylethoxy)pyrazol-1-yl]ethanamine
CID 117234343
2-(4-cyclobutyloxypyrazol-1-yl)ethanamine
CID 117234339
N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803809
N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine
CID 116803768
1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine
CID 130479120
2-[4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazol-1-yl]ethanamine
CID 117234241

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride?
The IUPAC name of 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride (CID 164885761) is 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride?
The canonical SMILES for 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride is Cl.NCCOc1cnn(CCC2CCCCC2)c1.
What is the InChIKey of 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride?
The InChIKey is SCIJOONIENZRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O.ClH/c14-7-9-17-13-10-15-16(11-13)8-6-12-4-2-1-3-5-12;/h10-12H,1-9,14H2;1H.
What are the key properties of 2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride?
2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 2.61, 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;hydrochloride is sourced from PubChem (CID 164885761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).