1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine

C12H22FN3 — CID 82696919

IUPAC1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCCF)c(CC)c1C(C)N
InChIInChI=1S/C12H22FN3/c1-4-10-12(9(3)14)11(5-2)16(15-10)8-6-7-13/h9H,4-8,14H2,1-3H3
InChIKeyLZKCKZMIORYAPE-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.39
Rot. Bonds6

About 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine

1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine (PubChem CID 82696919) has the molecular formula C12H22FN3 and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine
PubChem CID82696919
Molecular FormulaC12H22FN3
Molecular Weight227.33 g/mol
Exact Mass227.18
IUPAC Name1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCCF)c(CC)c1C(C)N
InChIInChI=1S/C12H22FN3/c1-4-10-12(9(3)14)11(5-2)16(15-10)8-6-7-13/h9H,4-8,14H2,1-3H3
InChIKeyLZKCKZMIORYAPE-UHFFFAOYSA-N
XLogP2.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine (CID 82696919) is 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine is CCc1nn(CCCF)c(CC)c1C(C)N.
What is the InChIKey of 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine?
The InChIKey is LZKCKZMIORYAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN3/c1-4-10-12(9(3)14)11(5-2)16(15-10)8-6-7-13/h9H,4-8,14H2,1-3H3.
What are the key properties of 1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine?
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine has a molecular weight of 227.33 g/mol, XLogP of 2.39, 6 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]ethanamine is sourced from PubChem (CID 82696919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).