1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine

C16H23N3O — CID 65047843

IUPAC1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
SMILESCOCC(NCc1ccc(-n2cccn2)cc1)C(C)C
InChIInChI=1S/C16H23N3O/c1-13(2)16(12-20-3)17-11-14-5-7-15(8-6-14)19-10-4-9-18-19/h4-10,13,16-17H,11-12H2,1-3H3
InChIKeyMLCMSYJKILDYAL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.63
Rot. Bonds7

About 1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine

1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine (PubChem CID 65047843) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
PubChem CID65047843
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
SMILESCOCC(NCc1ccc(-n2cccn2)cc1)C(C)C
InChIInChI=1S/C16H23N3O/c1-13(2)16(12-20-3)17-11-14-5-7-15(8-6-14)19-10-4-9-18-19/h4-10,13,16-17H,11-12H2,1-3H3
InChIKeyMLCMSYJKILDYAL-UHFFFAOYSA-N
XLogP2.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 62733351
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine
CID 82714540
(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-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
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
N-[(4-pyrazol-1-ylphenyl)methyl]hex-1-yn-3-amine
CID 107234255
1-(4-pyrazol-1-ylphenyl)propan-2-ol
CID 83675061

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine (CID 65047843) is 1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine is COCC(NCc1ccc(-n2cccn2)cc1)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine?
The InChIKey is MLCMSYJKILDYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)16(12-20-3)17-11-14-5-7-15(8-6-14)19-10-4-9-18-19/h4-10,13,16-17H,11-12H2,1-3H3.
What are the key properties of 1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine?
1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 65047843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).