N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide

C17H13F11N4O — CID 162601975

IUPACN-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide
SMILESCCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)c1cn(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C17H13F11N4O/c1-2-31(12(33)3-4-14(19,16(23,24)25)17(26,27)28)11-8-32(30-13(11)15(20,21)22)10-5-9(18)6-29-7-10/h5-8H,2-4H2,1H3
InChIKeyAUSGJCBNRRJQTQ-UHFFFAOYSA-N
MW498.30 g/mol
LogP5.39
Rot. Bonds6

About N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide

N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide (PubChem CID 162601975) has the molecular formula C17H13F11N4O and a molecular weight of 498.30 g/mol. Its IUPAC name is N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide.

Molecular Properties

Compound NameN-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide
PubChem CID162601975
Molecular FormulaC17H13F11N4O
Molecular Weight498.30 g/mol
Exact Mass498.09
IUPAC NameN-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide
SMILESCCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)c1cn(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C17H13F11N4O/c1-2-31(12(33)3-4-14(19,16(23,24)25)17(26,27)28)11-8-32(30-13(11)15(20,21)22)10-5-9(18)6-29-7-10/h5-8H,2-4H2,1H3
InChIKeyAUSGJCBNRRJQTQ-UHFFFAOYSA-N
XLogP5.39
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.30
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide?
The IUPAC name of N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide (CID 162601975) is N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide.
What is the SMILES notation for N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide?
The canonical SMILES for N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide is CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)c1cn(-c2cncc(F)c2)nc1C(F)(F)F.
What is the InChIKey of N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide?
The InChIKey is AUSGJCBNRRJQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F11N4O/c1-2-31(12(33)3-4-14(19,16(23,24)25)17(26,27)28)11-8-32(30-13(11)15(20,21)22)10-5-9(18)6-29-7-10/h5-8H,2-4H2,1H3.
What are the key properties of N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide?
N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide has a molecular weight of 498.30 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide is sourced from PubChem (CID 162601975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).