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

C15H20FN3 — CID 105188301

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCn1nc(C)cc1C(N)Cc1ccc(F)cc1C
InChIInChI=1S/C15H20FN3/c1-4-19-15(8-11(3)18-19)14(17)9-12-5-6-13(16)7-10(12)2/h5-8,14H,4,9,17H2,1-3H3
InChIKeyQRKQOMHYVJKKAI-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.90
Rot. Bonds4

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

1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 105188301) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID105188301
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCn1nc(C)cc1C(N)Cc1ccc(F)cc1C
InChIInChI=1S/C15H20FN3/c1-4-19-15(8-11(3)18-19)14(17)9-12-5-6-13(16)7-10(12)2/h5-8,14H,4,9,17H2,1-3H3
InChIKeyQRKQOMHYVJKKAI-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-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105101126
2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105137759
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279154
2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105188357
(2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176567
2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine
CID 62136321
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123659
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine
CID 105174400
1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051216
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 105188301) is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is CCn1nc(C)cc1C(N)Cc1ccc(F)cc1C.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is QRKQOMHYVJKKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-19-15(8-11(3)18-19)14(17)9-12-5-6-13(16)7-10(12)2/h5-8,14H,4,9,17H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(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 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105188301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).