1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine

C16H22FN3 — CID 105142360

IUPAC1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCCc1cc(C(NC)c2cc(F)ccc2C)n(CC)n1
InChIInChI=1S/C16H22FN3/c1-5-13-10-15(20(6-2)19-13)16(18-4)14-9-12(17)8-7-11(14)3/h7-10,16,18H,5-6H2,1-4H3
InChIKeyJSXHVTZTRKECKV-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.22
Rot. Bonds5

About 1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine

1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (PubChem CID 105142360) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
PubChem CID105142360
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCCc1cc(C(NC)c2cc(F)ccc2C)n(CC)n1
InChIInChI=1S/C16H22FN3/c1-5-13-10-15(20(6-2)19-13)16(18-4)14-9-12(17)8-7-11(14)3/h7-10,16,18H,5-6H2,1-4H3
InChIKeyJSXHVTZTRKECKV-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1,3-diethylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302457
[(1,3-diethylpyrazol-5-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105284076
[1-(1,3-diethylpyrazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105377996
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 105090473
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093589
1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81276228
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105164299
N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63976818
[(1,3-diethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302786
N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 105119622
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989956
1-(5-ethylfuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63048430

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (CID 105142360) is 1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is CCc1cc(C(NC)c2cc(F)ccc2C)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is JSXHVTZTRKECKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-5-13-10-15(20(6-2)19-13)16(18-4)14-9-12(17)8-7-11(14)3/h7-10,16,18H,5-6H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 275.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105142360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).