1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine

C15H21N3O — CID 105047114

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(N)c1c(OC)cnn1C
InChIInChI=1S/C15H21N3O/c1-4-12(11-8-6-5-7-9-11)14(16)15-13(19-3)10-17-18(15)2/h5-10,12,14H,4,16H2,1-3H3
InChIKeyJJUKCKHDKZYGIH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.62
Rot. Bonds5

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine

1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine (PubChem CID 105047114) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine
PubChem CID105047114
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(N)c1c(OC)cnn1C
InChIInChI=1S/C15H21N3O/c1-4-12(11-8-6-5-7-9-11)14(16)15-13(19-3)10-17-18(15)2/h5-10,12,14H,4,16H2,1-3H3
InChIKeyJJUKCKHDKZYGIH-UHFFFAOYSA-N
XLogP2.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105048844
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
CID 114651682
1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol
CID 114635516
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 114661194
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105041777
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
CID 114648841
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195307
1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047205
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine
CID 105024997
[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105342210
(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine
CID 114650812

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine (CID 105047114) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine is CCC(c1ccccc1)C(N)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine?
The InChIKey is JJUKCKHDKZYGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-12(11-8-6-5-7-9-11)14(16)15-13(19-3)10-17-18(15)2/h5-10,12,14H,4,16H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine?
1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine is sourced from PubChem (CID 105047114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).