N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine

C17H25N3O — CID 114783006

IUPACN-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine
SMILESCCn1nc(C)cc1COCCCNCc1ccccc1
InChIInChI=1S/C17H25N3O/c1-3-20-17(12-15(2)19-20)14-21-11-7-10-18-13-16-8-5-4-6-9-16/h4-6,8-9,12,18H,3,7,10-11,13-14H2,1-2H3
InChIKeyXQKTXIKFRHDZNA-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.91
Rot. Bonds9

About N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine

N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine (PubChem CID 114783006) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine
PubChem CID114783006
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine
SMILESCCn1nc(C)cc1COCCCNCc1ccccc1
InChIInChI=1S/C17H25N3O/c1-3-20-17(12-15(2)19-20)14-21-11-7-10-18-13-16-8-5-4-6-9-16/h4-6,8-9,12,18H,3,7,10-11,13-14H2,1-2H3
InChIKeyXQKTXIKFRHDZNA-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 122166161
N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine
CID 114783024
3-[3-(benzylamino)propoxymethyl]phenol
CID 114782855
N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
CID 114782944
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine
CID 114783023
N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine
CID 114782959
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole
CID 83057632
N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine
CID 114783188
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine
CID 114783211

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine?
The IUPAC name of N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine (CID 114783006) is N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine.
What is the SMILES notation for N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine?
The canonical SMILES for N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine is CCn1nc(C)cc1COCCCNCc1ccccc1.
What is the InChIKey of N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine?
The InChIKey is XQKTXIKFRHDZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-20-17(12-15(2)19-20)14-21-11-7-10-18-13-16-8-5-4-6-9-16/h4-6,8-9,12,18H,3,7,10-11,13-14H2,1-2H3.
What are the key properties of N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine?
N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]propan-1-amine is sourced from PubChem (CID 114783006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).