1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine

C13H24FN3 — CID 80694491

IUPAC1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(C)nn(CCF)c1C
InChIInChI=1S/C13H24FN3/c1-5-8-15-12(6-2)13-10(3)16-17(9-7-14)11(13)4/h12,15H,5-9H2,1-4H3
InChIKeyPUURKKDAGVNWFL-UHFFFAOYSA-N
MW241.35 g/mol
LogP2.92
Rot. Bonds7

About 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine

1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine (PubChem CID 80694491) has the molecular formula C13H24FN3 and a molecular weight of 241.35 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
PubChem CID80694491
Molecular FormulaC13H24FN3
Molecular Weight241.35 g/mol
Exact Mass241.20
IUPAC Name1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(C)nn(CCF)c1C
InChIInChI=1S/C13H24FN3/c1-5-8-15-12(6-2)13-10(3)16-17(9-7-14)11(13)4/h12,15H,5-9H2,1-4H3
InChIKeyPUURKKDAGVNWFL-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 55110541
1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82929816
1-[1-(4-methoxybutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 104649593
1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731742
1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107886970
1-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731385
1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 80693840
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 103037035
1-[3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 62729735
1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62732283
N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731914

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine (CID 80694491) is 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine is CCCNC(CC)c1c(C)nn(CCF)c1C.
What is the InChIKey of 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is PUURKKDAGVNWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3/c1-5-8-15-12(6-2)13-10(3)16-17(9-7-14)11(13)4/h12,15H,5-9H2,1-4H3.
What are the key properties of 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine?
1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine has a molecular weight of 241.35 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 80694491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).