2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine

C17H24FN3O — CID 83987069

IUPAC2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)cc1C(CN)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C17H24FN3O/c1-17(2,3)16-9-14(21(4)20-16)13(10-19)12-8-11(18)6-7-15(12)22-5/h6-9,13H,10,19H2,1-5H3
InChIKeyIMUMQOPWOSPMJH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.96
Rot. Bonds4

About 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine

2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine (PubChem CID 83987069) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine
PubChem CID83987069
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)cc1C(CN)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C17H24FN3O/c1-17(2,3)16-9-14(21(4)20-16)13(10-19)12-8-11(18)6-7-15(12)22-5/h6-9,13H,10,19H2,1-5H3
InChIKeyIMUMQOPWOSPMJH-UHFFFAOYSA-N
XLogP2.96
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.96
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-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine
CID 83987721
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986514
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176507
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine
CID 83986380
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 82078103
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43122340
3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 82534391
2-(4-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 82023273
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554138

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine (CID 83987069) is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine is COc1ccc(F)cc1C(CN)c1cc(C(C)(C)C)nn1C.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine?
The InChIKey is IMUMQOPWOSPMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-17(2,3)16-9-14(21(4)20-16)13(10-19)12-8-11(18)6-7-15(12)22-5/h6-9,13H,10,19H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine?
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine has a molecular weight of 305.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 83987069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).