2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine

C18H27N3O — CID 83986850

IUPAC2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine
SMILESCCOc1ccc(C(CN)c2cc(C(C)(C)C)n[nH]2)cc1C
InChIInChI=1S/C18H27N3O/c1-6-22-16-8-7-13(9-12(16)2)14(11-19)15-10-17(21-20-15)18(3,4)5/h7-10,14H,6,11,19H2,1-5H3,(H,20,21)
InChIKeyCTWFVZVEODIXME-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.50
Rot. Bonds5

About 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine

2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine (PubChem CID 83986850) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine
PubChem CID83986850
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine
SMILESCCOc1ccc(C(CN)c2cc(C(C)(C)C)n[nH]2)cc1C
InChIInChI=1S/C18H27N3O/c1-6-22-16-8-7-13(9-12(16)2)14(11-19)15-10-17(21-20-15)18(3,4)5/h7-10,14H,6,11,19H2,1-5H3,(H,20,21)
InChIKeyCTWFVZVEODIXME-UHFFFAOYSA-N
XLogP3.50
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83986834
2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine
CID 83987278
4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938298
2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
CID 83986652
2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
CID 83986824
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 83986828
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
1,3-diamino-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116942528
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
CID 116933717
3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116911710

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine (CID 83986850) is 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine is CCOc1ccc(C(CN)c2cc(C(C)(C)C)n[nH]2)cc1C.
What is the InChIKey of 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine?
The InChIKey is CTWFVZVEODIXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-6-22-16-8-7-13(9-12(16)2)14(11-19)15-10-17(21-20-15)18(3,4)5/h7-10,14H,6,11,19H2,1-5H3,(H,20,21).
What are the key properties of 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine?
2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine has a molecular weight of 301.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 83986850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).