3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole

C13H17FN2 — CID 167866875

IUPAC3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole
SMILESCCC1CC=NN1C(C)c1cccc(F)c1
InChIInChI=1S/C13H17FN2/c1-3-13-7-8-15-16(13)10(2)11-5-4-6-12(14)9-11/h4-6,8-10,13H,3,7H2,1-2H3
InChIKeyISFPHKZVFAVSHE-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.36
Rot. Bonds3

About 3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole

3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole (PubChem CID 167866875) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole
PubChem CID167866875
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole
SMILESCCC1CC=NN1C(C)c1cccc(F)c1
InChIInChI=1S/C13H17FN2/c1-3-13-7-8-15-16(13)10(2)11-5-4-6-12(14)9-11/h4-6,8-10,13H,3,7H2,1-2H3
InChIKeyISFPHKZVFAVSHE-UHFFFAOYSA-N
XLogP3.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64947817
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2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
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N-ethyl-8-[1-(3-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62739517
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
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1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine
CID 86773590
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
3-ethyl-2-[(5-fluoro-2-methoxyphenyl)methyl]-3,4-dihydropyrazole
CID 167847633
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
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CID 20795498
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole?
The IUPAC name of 3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole (CID 167866875) is 3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole.
What is the SMILES notation for 3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole?
The canonical SMILES for 3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole is CCC1CC=NN1C(C)c1cccc(F)c1.
What is the InChIKey of 3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole?
The InChIKey is ISFPHKZVFAVSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-3-13-7-8-15-16(13)10(2)11-5-4-6-12(14)9-11/h4-6,8-10,13H,3,7H2,1-2H3.
What are the key properties of 3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole?
3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole has a molecular weight of 220.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole is sourced from PubChem (CID 167866875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).