N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine

C16H23N3O — CID 105190222

IUPACN-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
SMILESCCNC(CCCOC)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H23N3O/c1-3-17-16(10-7-11-20-2)14-12-18-19(13-14)15-8-5-4-6-9-15/h4-6,8-9,12-13,16-17H,3,7,10-11H2,1-2H3
InChIKeyHBPUKUHHKWNUJX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.95
Rot. Bonds8

About N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine

N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine (PubChem CID 105190222) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
PubChem CID105190222
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
SMILESCCNC(CCCOC)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H23N3O/c1-3-17-16(10-7-11-20-2)14-12-18-19(13-14)15-8-5-4-6-9-15/h4-6,8-9,12-13,16-17H,3,7,10-11H2,1-2H3
InChIKeyHBPUKUHHKWNUJX-UHFFFAOYSA-N
XLogP2.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.95
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

N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105165630
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
N-ethyl-2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 43492532
N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169186
2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide
CID 62541695
N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine
CID 65195286
3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine
CID 43497373
N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 43492518
4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105190345
[1-(1-ethylpyrazol-4-yl)-4-methoxybutyl]hydrazine
CID 105224988
[3-methyl-1-(1-phenylpyrazol-4-yl)hexyl]hydrazine
CID 105298119
4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol
CID 103785449

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine (CID 105190222) is N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine is CCNC(CCCOC)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine?
The InChIKey is HBPUKUHHKWNUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-17-16(10-7-11-20-2)14-12-18-19(13-14)15-8-5-4-6-9-15/h4-6,8-9,12-13,16-17H,3,7,10-11H2,1-2H3.
What are the key properties of N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine?
N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 105190222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).