3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride

C11H22ClN3O — CID 126966218

IUPAC3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCn1cc(CNCCCOC)cn1.Cl
InChIInChI=1S/C11H21N3O.ClH/c1-3-6-14-10-11(9-13-14)8-12-5-4-7-15-2;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyAYGNZRXIHBYZPQ-UHFFFAOYSA-N
MW247.77 g/mol
LogP1.84
Rot. Bonds8

About 3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride

3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 126966218) has the molecular formula C11H22ClN3O and a molecular weight of 247.77 g/mol. Its IUPAC name is 3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
PubChem CID126966218
Molecular FormulaC11H22ClN3O
Molecular Weight247.77 g/mol
Exact Mass247.15
IUPAC Name3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCn1cc(CNCCCOC)cn1.Cl
InChIInChI=1S/C11H21N3O.ClH/c1-3-6-14-10-11(9-13-14)8-12-5-4-7-15-2;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyAYGNZRXIHBYZPQ-UHFFFAOYSA-N
XLogP1.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 51.84
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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Related Compounds

3-methoxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine;hydrochloride
CID 126966892
N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine
CID 103701847
N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 103673607
4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126966477
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390
N-[[1-(3,3-dimethylbutyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 62729779
2-methoxy-N-[[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methyl]ethanamine
CID 113327305
2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115656313
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 103673638

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride (CID 126966218) is 3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride is CCCn1cc(CNCCCOC)cn1.Cl.
What is the InChIKey of 3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is AYGNZRXIHBYZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.ClH/c1-3-6-14-10-11(9-13-14)8-12-5-4-7-15-2;/h9-10,12H,3-8H2,1-2H3;1H.
What are the key properties of 3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride?
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 126966218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).