1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine

C16H22FN3 — CID 82692322

IUPAC1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine
SMILESCCc1cc(CC)n(C(c2cccc(F)c2)C(C)N)n1
InChIInChI=1S/C16H22FN3/c1-4-14-10-15(5-2)20(19-14)16(11(3)18)12-7-6-8-13(17)9-12/h6-11,16H,4-5,18H2,1-3H3
InChIKeyNBTPZODZRPKFHI-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.08
Rot. Bonds5

About 1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine

1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine (PubChem CID 82692322) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine
PubChem CID82692322
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine
SMILESCCc1cc(CC)n(C(c2cccc(F)c2)C(C)N)n1
InChIInChI=1S/C16H22FN3/c1-4-14-10-15(5-2)20(19-14)16(11(3)18)12-7-6-8-13(17)9-12/h6-11,16H,4-5,18H2,1-3H3
InChIKeyNBTPZODZRPKFHI-UHFFFAOYSA-N
XLogP3.08
TPSA43.84 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 82692543
1-(3,5-diethylpyrazol-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 82693461
3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol
CID 82693019
2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 82693670
2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(3-fluorophenyl)ethanamine
CID 107522830
(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694547
4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione
CID 66068681
1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 82700524
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine
CID 105093037
1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 82695072
1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694023

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine (CID 82692322) is 1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine is CCc1cc(CC)n(C(c2cccc(F)c2)C(C)N)n1.
What is the InChIKey of 1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is NBTPZODZRPKFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-14-10-15(5-2)20(19-14)16(11(3)18)12-7-6-8-13(17)9-12/h6-11,16H,4-5,18H2,1-3H3.
What are the key properties of 1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine?
1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 82692322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).