1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

C17H25N3O — CID 105118289

IUPAC1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCOc1ccc(C)cc1CC(N)Cc1c(C)nn(C)c1C
InChIInChI=1S/C17H25N3O/c1-11-6-7-17(21-5)14(8-11)9-15(18)10-16-12(2)19-20(4)13(16)3/h6-8,15H,9-10,18H2,1-5H3
InChIKeyXZSONIGLUDSHMT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.47
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (PubChem CID 105118289) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
PubChem CID105118289
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCOc1ccc(C)cc1CC(N)Cc1c(C)nn(C)c1C
InChIInChI=1S/C17H25N3O/c1-11-6-7-17(21-5)14(8-11)9-15(18)10-16-12(2)19-20(4)13(16)3/h6-8,15H,9-10,18H2,1-5H3
InChIKeyXZSONIGLUDSHMT-UHFFFAOYSA-N
XLogP2.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105083651
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 102803133
1-(3,4-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 62899800
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105089319
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51295317
1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105155115
methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate
CID 82351379
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105095428

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (CID 105118289) is 1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is COc1ccc(C)cc1CC(N)Cc1c(C)nn(C)c1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The InChIKey is XZSONIGLUDSHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11-6-7-17(21-5)14(8-11)9-15(18)10-16-12(2)19-20(4)13(16)3/h6-8,15H,9-10,18H2,1-5H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 105118289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).