3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride

C14H26ClN3O — CID 164885763

IUPAC3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride
SMILESCl.NCCCOc1cnn(CCC2CCCCC2)c1
InChIInChI=1S/C14H25N3O.ClH/c15-8-4-10-18-14-11-16-17(12-14)9-7-13-5-2-1-3-6-13;/h11-13H,1-10,15H2;1H
InChIKeyVUBDDZFDGIGDAN-UHFFFAOYSA-N
MW287.84 g/mol
LogP3.00
Rot. Bonds7

About 3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride

3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride (PubChem CID 164885763) has the molecular formula C14H26ClN3O and a molecular weight of 287.84 g/mol. Its IUPAC name is 3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride
PubChem CID164885763
Molecular FormulaC14H26ClN3O
Molecular Weight287.84 g/mol
Exact Mass287.18
IUPAC Name3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride
SMILESCl.NCCCOc1cnn(CCC2CCCCC2)c1
InChIInChI=1S/C14H25N3O.ClH/c15-8-4-10-18-14-11-16-17(12-14)9-7-13-5-2-1-3-6-13;/h11-13H,1-10,15H2;1H
InChIKeyVUBDDZFDGIGDAN-UHFFFAOYSA-N
XLogP3.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.84
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride?
The IUPAC name of 3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride (CID 164885763) is 3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride?
The canonical SMILES for 3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride is Cl.NCCCOc1cnn(CCC2CCCCC2)c1.
What is the InChIKey of 3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride?
The InChIKey is VUBDDZFDGIGDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O.ClH/c15-8-4-10-18-14-11-16-17(12-14)9-7-13-5-2-1-3-6-13;/h11-13H,1-10,15H2;1H.
What are the key properties of 3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride?
3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride has a molecular weight of 287.84 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride is sourced from PubChem (CID 164885763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).