3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline

C15H21N3O — CID 64799429

IUPAC3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
SMILESCCC(CC)n1ccc(COc2cccc(N)c2)n1
InChIInChI=1S/C15H21N3O/c1-3-14(4-2)18-9-8-13(17-18)11-19-15-7-5-6-12(16)10-15/h5-10,14H,3-4,11,16H2,1-2H3
InChIKeyJKNSRDGYEQEXRW-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.41
Rot. Bonds6

About 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline

3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline (PubChem CID 64799429) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline.

Molecular Properties

Compound Name3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
PubChem CID64799429
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
SMILESCCC(CC)n1ccc(COc2cccc(N)c2)n1
InChIInChI=1S/C15H21N3O/c1-3-14(4-2)18-9-8-13(17-18)11-19-15-7-5-6-12(16)10-15/h5-10,14H,3-4,11,16H2,1-2H3
InChIKeyJKNSRDGYEQEXRW-UHFFFAOYSA-N
XLogP3.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64801948
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine
CID 112558733
1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
CID 64779517
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 64800173
2-[4-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]acetonitrile
CID 64800919
1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772319
6-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridin-2-amine
CID 64801745
1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 64801500
5-bromo-4-fluoro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
CID 103483064
3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 115955479
trifluoro-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]boranuide
CID 64773108
3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-1-pentan-3-ylpyrazole
CID 64784959

Frequently Asked Questions

What is the IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline?
The IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline (CID 64799429) is 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline.
What is the SMILES notation for 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline?
The canonical SMILES for 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline is CCC(CC)n1ccc(COc2cccc(N)c2)n1.
What is the InChIKey of 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline?
The InChIKey is JKNSRDGYEQEXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-14(4-2)18-9-8-13(17-18)11-19-15-7-5-6-12(16)10-15/h5-10,14H,3-4,11,16H2,1-2H3.
What are the key properties of 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline?
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline has a molecular weight of 259.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline is sourced from PubChem (CID 64799429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).