N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C16H14F3N3O3 — CID 55541052

IUPACN,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)14-5-6-22(20-14)11-15(23)21(9-12-3-1-7-24-12)10-13-4-2-8-25-13/h1-8H,9-11H2
InChIKeyZNZFBZYMXOUXAF-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.32
Rot. Bonds6

About N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 55541052) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID55541052
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC NameN,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)14-5-6-22(20-14)11-15(23)21(9-12-3-1-7-24-12)10-13-4-2-8-25-13/h1-8H,9-11H2
InChIKeyZNZFBZYMXOUXAF-UHFFFAOYSA-N
XLogP3.32
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 55541052) is N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZNZFBZYMXOUXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c17-16(18,19)14-5-6-22(20-14)11-15(23)21(9-12-3-1-7-24-12)10-13-4-2-8-25-13/h1-8H,9-11H2.
What are the key properties of N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 353.30 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 55541052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).