N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine

C17H25N3O — CID 62126609

IUPACN-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(CC)c1)c1ccc(OC)cc1
InChIInChI=1S/C17H25N3O/c1-4-10-18-17(11-14-12-19-20(5-2)13-14)15-6-8-16(21-3)9-7-15/h6-9,12-13,17-18H,4-5,10-11H2,1-3H3
InChIKeyPZLOUEOMWNZIJH-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.19
Rot. Bonds8

About N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine

N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 62126609) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
PubChem CID62126609
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(CC)c1)c1ccc(OC)cc1
InChIInChI=1S/C17H25N3O/c1-4-10-18-17(11-14-12-19-20(5-2)13-14)15-6-8-16(21-3)9-7-15/h6-9,12-13,17-18H,4-5,10-11H2,1-3H3
InChIKeyPZLOUEOMWNZIJH-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-ethylpyrazol-4-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105114689
N-[2-(1-ethylpyrazol-4-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62126619
N-[1-(3,5-dichlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822802
N-[1-(4-bromo-3-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822956
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822526
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
N-[1-(2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 79517743
1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylbutan-2-amine
CID 62125581
N-[2-(5-bromo-2-pyridinyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 104800981

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine (CID 62126609) is N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine is CCCNC(Cc1cnn(CC)c1)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is PZLOUEOMWNZIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-10-18-17(11-14-12-19-20(5-2)13-14)15-6-8-16(21-3)9-7-15/h6-9,12-13,17-18H,4-5,10-11H2,1-3H3.
What are the key properties of N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 62126609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).