(1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine

C15H20FN3O — CID 103397297

IUPAC(1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCCc1cc(C(N)c2ccc(OC)cc2F)n(CC)n1
InChIInChI=1S/C15H20FN3O/c1-4-10-8-14(19(5-2)18-10)15(17)12-7-6-11(20-3)9-13(12)16/h6-9,15H,4-5,17H2,1-3H3
InChIKeyKLGLJGFFZOIXRG-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.66
Rot. Bonds5

About (1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine

(1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 103397297) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID103397297
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCCc1cc(C(N)c2ccc(OC)cc2F)n(CC)n1
InChIInChI=1S/C15H20FN3O/c1-4-10-8-14(19(5-2)18-10)15(17)12-7-6-11(20-3)9-13(12)16/h6-9,15H,4-5,17H2,1-3H3
InChIKeyKLGLJGFFZOIXRG-UHFFFAOYSA-N
XLogP2.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397454
(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine
CID 105188707
(2,5-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105145725
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol
CID 105119892
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097047
(2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine
CID 82237946
N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine
CID 105095176
(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171219623
(1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 105102122

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine (CID 103397297) is (1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine is CCc1cc(C(N)c2ccc(OC)cc2F)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is KLGLJGFFZOIXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-10-8-14(19(5-2)18-10)15(17)12-7-6-11(20-3)9-13(12)16/h6-9,15H,4-5,17H2,1-3H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine?
(1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 277.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 103397297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).