4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine

C15H21N3O — CID 62733351

IUPAC4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
SMILESCOCCC(C)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H21N3O/c1-13(8-11-19-2)16-12-14-4-6-15(7-5-14)18-10-3-9-17-18/h3-7,9-10,13,16H,8,11-12H2,1-2H3
InChIKeyRWMGGPSBJUSPHN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.39
Rot. Bonds7

About 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine

4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine (PubChem CID 62733351) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
PubChem CID62733351
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
SMILESCOCCC(C)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H21N3O/c1-13(8-11-19-2)16-12-14-4-6-15(7-5-14)18-10-3-9-17-18/h3-7,9-10,13,16H,8,11-12H2,1-2H3
InChIKeyRWMGGPSBJUSPHN-UHFFFAOYSA-N
XLogP2.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 65047843
N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine
CID 82714540
4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine
CID 62734283
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 81386103
(1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675922
(1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675926
N-[(4-pyrazol-1-ylphenyl)methyl]hex-1-yn-3-amine
CID 107234255
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 61472968
N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine
CID 62635762

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine (CID 62733351) is 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine is COCCC(C)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine?
The InChIKey is RWMGGPSBJUSPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(8-11-19-2)16-12-14-4-6-15(7-5-14)18-10-3-9-17-18/h3-7,9-10,13,16H,8,11-12H2,1-2H3.
What are the key properties of 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine?
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 62733351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).