1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine

C13H24FN3 — CID 82698914

IUPAC1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine
SMILESCCc1nn(CCCF)c(CC)c1CC(C)N
InChIInChI=1S/C13H24FN3/c1-4-12-11(9-10(3)15)13(5-2)17(16-12)8-6-7-14/h10H,4-9,15H2,1-3H3
InChIKeyDQOBLUNDMCHWIY-UHFFFAOYSA-N
MW241.35 g/mol
LogP2.26
Rot. Bonds7

About 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine

1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine (PubChem CID 82698914) has the molecular formula C13H24FN3 and a molecular weight of 241.35 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine
PubChem CID82698914
Molecular FormulaC13H24FN3
Molecular Weight241.35 g/mol
Exact Mass241.20
IUPAC Name1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine
SMILESCCc1nn(CCCF)c(CC)c1CC(C)N
InChIInChI=1S/C13H24FN3/c1-4-12-11(9-10(3)15)13(5-2)17(16-12)8-6-7-14/h10H,4-9,15H2,1-3H3
InChIKeyDQOBLUNDMCHWIY-UHFFFAOYSA-N
XLogP2.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine
CID 82696919
N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697029
1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine
CID 83167967
[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine
CID 83168953
1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
CID 82699508
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine
CID 82698912
1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
CID 82700096
1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine
CID 82699939
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanamine
CID 82697450
1-butyl-4-(chloromethyl)-3,5-diethylpyrazole
CID 82700348
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol
CID 82698165
[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine
CID 104649614

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine (CID 82698914) is 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine is CCc1nn(CCCF)c(CC)c1CC(C)N.
What is the InChIKey of 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine?
The InChIKey is DQOBLUNDMCHWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3/c1-4-12-11(9-10(3)15)13(5-2)17(16-12)8-6-7-14/h10H,4-9,15H2,1-3H3.
What are the key properties of 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine?
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine has a molecular weight of 241.35 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 82698914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).