N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine

C17H25N3O — CID 116773141

IUPACN-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(NCC)C(OC)c2ccccc2)cn1
InChIInChI=1S/C17H25N3O/c1-4-11-20-13-15(12-19-20)16(18-5-2)17(21-3)14-9-7-6-8-10-14/h6-10,12-13,16-18H,4-5,11H2,1-3H3
InChIKeyYMNIKPRMZMFJMA-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.33
Rot. Bonds8

About N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine

N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 116773141) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine
PubChem CID116773141
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(NCC)C(OC)c2ccccc2)cn1
InChIInChI=1S/C17H25N3O/c1-4-11-20-13-15(12-19-20)16(18-5-2)17(21-3)14-9-7-6-8-10-14/h6-10,12-13,16-18H,4-5,11H2,1-3H3
InChIKeyYMNIKPRMZMFJMA-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine
CID 116773030
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 114662155
2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116720667
N-ethyl-2-methoxy-1-(4-methyl-3-pyridinyl)-2-phenylethanamine
CID 116773113
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethyl]hydrazine
CID 105279178
N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine
CID 116773182
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773143
N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 55181521
N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine
CID 116773160
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773064
[2-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine
CID 105272039
[2-methoxy-2-phenyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine
CID 105279057

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine (CID 116773141) is N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(NCC)C(OC)c2ccccc2)cn1.
What is the InChIKey of N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is YMNIKPRMZMFJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-11-20-13-15(12-19-20)16(18-5-2)17(21-3)14-9-7-6-8-10-14/h6-10,12-13,16-18H,4-5,11H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine?
N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 116773141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).