N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine

C17H25N3O — CID 43392652

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H25N3O/c1-15(2)21-10-6-9-18-11-17-12-19-20(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,12,14-15,18H,6,9-11,13H2,1-2H3
InChIKeyGDZOQKLSRUROQI-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.84
Rot. Bonds9

About N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine

N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 43392652) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
PubChem CID43392652
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H25N3O/c1-15(2)21-10-6-9-18-11-17-12-19-20(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,12,14-15,18H,6,9-11,13H2,1-2H3
InChIKeyGDZOQKLSRUROQI-UHFFFAOYSA-N
XLogP2.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
N-[(1-benzylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79037268
4-[(1-benzylpyrazol-4-yl)methylamino]butanoic acid
CID 60782827
N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 86776302
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
N-[(1-benzylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047705
azane;N-benzyl-2-propan-2-yloxyethanamine
CID 68981527
1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743443
3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 62717964
1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol
CID 111106392

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine (CID 43392652) is N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is GDZOQKLSRUROQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-15(2)21-10-6-9-18-11-17-12-19-20(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,12,14-15,18H,6,9-11,13H2,1-2H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine?
N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 43392652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).