3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole

C13H15FN2O — CID 91387915

IUPAC3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole
SMILESCCc1n[nH]c(CC)c1Oc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-3-11-13(12(4-2)16-15-11)17-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyJNYCVTOOCHNPPM-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.47
Rot. Bonds4

About 3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole

3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole (PubChem CID 91387915) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole.

Molecular Properties

Compound Name3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole
PubChem CID91387915
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole
SMILESCCc1n[nH]c(CC)c1Oc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-3-11-13(12(4-2)16-15-11)17-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyJNYCVTOOCHNPPM-UHFFFAOYSA-N
XLogP3.47
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diethyl-3-(4-fluorophenoxy)quinoline
CID 174766627
3-ethyl-5-fluoro-7-methyl-2H-indazole
CID 89021133
1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
CID 54083625
5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 82083321
6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
CID 146094050
6-(4-fluorophenoxy)-1H-indazol-3-amine
CID 170994529
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
4-[4-(4-fluorophenoxy)-5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
CID 136642220
N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 63075795
4-(4-fluorophenoxy)-3,5-dimethylaniline
CID 91671802
3-ethyl-2H-indazole;molecular hydrogen
CID 156727025
ethane;1-ethoxy-4-fluorobenzene
CID 143106824

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole?
The IUPAC name of 3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole (CID 91387915) is 3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole.
What is the SMILES notation for 3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole?
The canonical SMILES for 3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole is CCc1n[nH]c(CC)c1Oc1ccc(F)cc1.
What is the InChIKey of 3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole?
The InChIKey is JNYCVTOOCHNPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-11-13(12(4-2)16-15-11)17-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole?
3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole has a molecular weight of 234.27 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-(4-fluorophenoxy)-1H-pyrazole is sourced from PubChem (CID 91387915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).