1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

C16H22FN3O — CID 105122368

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCCn1nc(C)cc1C(Cc1ccc(OC)c(F)c1)NC
InChIInChI=1S/C16H22FN3O/c1-5-20-15(8-11(2)19-20)14(18-3)10-12-6-7-16(21-4)13(17)9-12/h6-9,14,18H,5,10H2,1-4H3
InChIKeyOJBZLJQYDJQYEH-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.86
Rot. Bonds6

About 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 105122368) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID105122368
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCCn1nc(C)cc1C(Cc1ccc(OC)c(F)c1)NC
InChIInChI=1S/C16H22FN3O/c1-5-20-15(8-11(2)19-20)14(18-3)10-12-6-7-16(21-4)13(17)9-12/h6-9,14,18H,5,10H2,1-4H3
InChIKeyOJBZLJQYDJQYEH-UHFFFAOYSA-N
XLogP2.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105176065
2-(4-chloro-3-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 107891586
1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79516326
2-(3-fluoro-4-methoxyphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115829524
1-(1,3-diethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109456
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
2-(3,4-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105121806
2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
CID 103374164
2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 62605096
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530632
1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 105144094
2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 65096517

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (CID 105122368) is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is CCn1nc(C)cc1C(Cc1ccc(OC)c(F)c1)NC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is OJBZLJQYDJQYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-5-20-15(8-11(2)19-20)14(18-3)10-12-6-7-16(21-4)13(17)9-12/h6-9,14,18H,5,10H2,1-4H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 291.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 105122368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).