4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine

C17H25N3O — CID 107332190

IUPAC4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
SMILESCCNC(CCCOCC)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H25N3O/c1-3-18-16(11-8-14-21-4-2)17-12-13-19-20(17)15-9-6-5-7-10-15/h5-7,9-10,12-13,16,18H,3-4,8,11,14H2,1-2H3
InChIKeyHZRDWTVSBPTGEX-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.34
Rot. Bonds9

About 4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine

4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine (PubChem CID 107332190) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
PubChem CID107332190
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
SMILESCCNC(CCCOCC)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H25N3O/c1-3-18-16(11-8-14-21-4-2)17-12-13-19-20(17)15-9-6-5-7-10-15/h5-7,9-10,12-13,16,18H,3-4,8,11,14H2,1-2H3
InChIKeyHZRDWTVSBPTGEX-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330516
4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105148476
N-ethyl-2,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330534
2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330555
N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330894
2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330899
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine
CID 105146625
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
N-ethyl-1-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 105190222
N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 107330507
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine (CID 107332190) is 4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine is CCNC(CCCOCC)c1ccnn1-c1ccccc1.
What is the InChIKey of 4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
The InChIKey is HZRDWTVSBPTGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-18-16(11-8-14-21-4-2)17-12-13-19-20(17)15-9-6-5-7-10-15/h5-7,9-10,12-13,16,18H,3-4,8,11,14H2,1-2H3.
What are the key properties of 4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 107332190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).