1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole

C13H21F3N2O — CID 123365190

IUPAC1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole
SMILESCCOC(C)CCn1nc(C(F)(F)F)c(C)c1CC
InChIInChI=1S/C13H21F3N2O/c1-5-11-10(4)12(13(14,15)16)17-18(11)8-7-9(3)19-6-2/h9H,5-8H2,1-4H3
InChIKeyNACZYNLALGLXGU-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.59
Rot. Bonds6

About 1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole

1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 123365190) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole
PubChem CID123365190
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole
SMILESCCOC(C)CCn1nc(C(F)(F)F)c(C)c1CC
InChIInChI=1S/C13H21F3N2O/c1-5-11-10(4)12(13(14,15)16)17-18(11)8-7-9(3)19-6-2/h9H,5-8H2,1-4H3
InChIKeyNACZYNLALGLXGU-UHFFFAOYSA-N
XLogP3.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole (CID 123365190) is 1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole is CCOC(C)CCn1nc(C(F)(F)F)c(C)c1CC.
What is the InChIKey of 1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is NACZYNLALGLXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-5-11-10(4)12(13(14,15)16)17-18(11)8-7-9(3)19-6-2/h9H,5-8H2,1-4H3.
What are the key properties of 1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole?
1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 278.32 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxybutyl)-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 123365190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).