2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine

C20H23N3O — CID 83986832

IUPAC2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
SMILESCOc1ccc(C(CN)c2cc(-c3ccccc3)nn2C)cc1C
InChIInChI=1S/C20H23N3O/c1-14-11-16(9-10-20(14)24-3)17(13-21)19-12-18(22-23(19)2)15-7-5-4-6-8-15/h4-12,17H,13,21H2,1-3H3
InChIKeyAXBVBDXGXBEXGC-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.49
Rot. Bonds5

About 2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine

2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine (PubChem CID 83986832) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
PubChem CID83986832
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
SMILESCOc1ccc(C(CN)c2cc(-c3ccccc3)nn2C)cc1C
InChIInChI=1S/C20H23N3O/c1-14-11-16(9-10-20(14)24-3)17(13-21)19-12-18(22-23(19)2)15-7-5-4-6-8-15/h4-12,17H,13,21H2,1-3H3
InChIKeyAXBVBDXGXBEXGC-UHFFFAOYSA-N
XLogP3.49
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 83986828
2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83986834
2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
CID 83987350
2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
CID 83986824
4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one
CID 82444490
2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
CID 83986500
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839
2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 83986338
2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine
CID 83987390
2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine
CID 83986622
1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-amine
CID 91059211

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine (CID 83986832) is 2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine is COc1ccc(C(CN)c2cc(-c3ccccc3)nn2C)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine?
The InChIKey is AXBVBDXGXBEXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-11-16(9-10-20(14)24-3)17(13-21)19-12-18(22-23(19)2)15-7-5-4-6-8-15/h4-12,17H,13,21H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine?
2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine has a molecular weight of 321.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 83986832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).