2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine

C15H20FN3 — CID 81279154

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCn1nc(C)cc1CC(N)c1ccc(F)cc1C
InChIInChI=1S/C15H20FN3/c1-4-19-13(8-11(3)18-19)9-15(17)14-6-5-12(16)7-10(14)2/h5-8,15H,4,9,17H2,1-3H3
InChIKeyCGDMNIUYMXJIBZ-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.90
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 81279154) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID81279154
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCn1nc(C)cc1CC(N)c1ccc(F)cc1C
InChIInChI=1S/C15H20FN3/c1-4-19-13(8-11(3)18-19)9-15(17)14-6-5-12(16)7-10(14)2/h5-8,15H,4,9,17H2,1-3H3
InChIKeyCGDMNIUYMXJIBZ-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105162326
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188301
1-(2-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816454
1-(2,5-dibromophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002899
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 82809655
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
1-(3-chloro-4-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002629
1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002556
2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105001646
2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine
CID 105162303
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002683

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine (CID 81279154) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine is CCn1nc(C)cc1CC(N)c1ccc(F)cc1C.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is CGDMNIUYMXJIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-19-13(8-11(3)18-19)9-15(17)14-6-5-12(16)7-10(14)2/h5-8,15H,4,9,17H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 81279154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).