(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide

C20H14F5N3O3 — CID 66929129

IUPAC(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)/C=C\c3ccc(C(F)(F)F)c(F)c3F)cn2)o1
InChIInChI=1S/C20H14F5N3O3/c1-11(29)16-6-4-14(31-16)10-28-9-13(8-26-28)27-17(30)7-3-12-2-5-15(20(23,24)25)19(22)18(12)21/h2-9H,10H2,1H3,(H,27,30)/b7-3-
InChIKeyLOEZAWFNHSRDPD-CLTKARDFSA-N
MW439.34 g/mol
LogP4.68
Rot. Bonds6

About (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide

(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 66929129) has the molecular formula C20H14F5N3O3 and a molecular weight of 439.34 g/mol. Its IUPAC name is (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID66929129
Molecular FormulaC20H14F5N3O3
Molecular Weight439.34 g/mol
Exact Mass439.10
IUPAC Name(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)/C=C\c3ccc(C(F)(F)F)c(F)c3F)cn2)o1
InChIInChI=1S/C20H14F5N3O3/c1-11(29)16-6-4-14(31-16)10-28-9-13(8-26-28)27-17(30)7-3-12-2-5-15(20(23,24)25)19(22)18(12)21/h2-9H,10H2,1H3,(H,27,30)/b7-3-
InChIKeyLOEZAWFNHSRDPD-CLTKARDFSA-N
XLogP4.68
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 66928566
(E)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 42645324
(Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 66928315
N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide
CID 66928924
(E)-3-(2-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19409875
3-(1,5-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 5234112
(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide
CID 66928421
(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide
CID 67364118
naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate
CID 42645812
(E)-3-(2-chlorophenyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19336376
3-(1,3-benzodioxol-5-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 74640560
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 66928869

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide (CID 66929129) is (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide is CC(=O)c1ccc(Cn2cc(NC(=O)/C=C\c3ccc(C(F)(F)F)c(F)c3F)cn2)o1.
What is the InChIKey of (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is LOEZAWFNHSRDPD-CLTKARDFSA-N. The full InChI is InChI=1S/C20H14F5N3O3/c1-11(29)16-6-4-14(31-16)10-28-9-13(8-26-28)27-17(30)7-3-12-2-5-15(20(23,24)25)19(22)18(12)21/h2-9H,10H2,1H3,(H,27,30)/b7-3-.
What are the key properties of (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide?
(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 439.34 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 66929129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).