1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine

C15H20FN3 — CID 82695072

IUPAC1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
SMILESCCc1cc(CC)n(-c2ccc(C(C)N)cc2F)n1
InChIInChI=1S/C15H20FN3/c1-4-12-9-13(5-2)19(18-12)15-7-6-11(10(3)17)8-14(15)16/h6-10H,4-5,17H2,1-3H3
InChIKeyDZBFFGPJZDVZNI-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.16
Rot. Bonds4

About 1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine

1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine (PubChem CID 82695072) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
PubChem CID82695072
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
SMILESCCc1cc(CC)n(-c2ccc(C(C)N)cc2F)n1
InChIInChI=1S/C15H20FN3/c1-4-12-9-13(5-2)19(18-12)15-7-6-11(10(3)17)8-14(15)16/h6-10H,4-5,17H2,1-3H3
InChIKeyDZBFFGPJZDVZNI-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694547
(1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 55189262
1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 82700524
1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694023
4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid
CID 82694333
(1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol
CID 82694994
(1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 78937665
(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
CID 55182802
(1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol
CID 82695199
1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 62488667
N-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 82698530
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862591

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
The IUPAC name of 1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine (CID 82695072) is 1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
The canonical SMILES for 1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine is CCc1cc(CC)n(-c2ccc(C(C)N)cc2F)n1.
What is the InChIKey of 1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
The InChIKey is DZBFFGPJZDVZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-12-9-13(5-2)19(18-12)15-7-6-11(10(3)17)8-14(15)16/h6-10H,4-5,17H2,1-3H3.
What are the key properties of 1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 82695072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).