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

C19H15Cl2N3O3 — CID 66928566

IUPAC(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)/C=C\c3ccc(Cl)cc3Cl)cn2)o1
InChIInChI=1S/C19H15Cl2N3O3/c1-12(25)18-6-5-16(27-18)11-24-10-15(9-22-24)23-19(26)7-3-13-2-4-14(20)8-17(13)21/h2-10H,11H2,1H3,(H,23,26)/b7-3-
InChIKeyRYTZEHUZCKEPJF-CLTKARDFSA-N
MW404.25 g/mol
LogP4.69
Rot. Bonds6

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

(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 66928566) has the molecular formula C19H15Cl2N3O3 and a molecular weight of 404.25 g/mol. Its IUPAC name is (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID66928566
Molecular FormulaC19H15Cl2N3O3
Molecular Weight404.25 g/mol
Exact Mass403.05
IUPAC Name(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)/C=C\c3ccc(Cl)cc3Cl)cn2)o1
InChIInChI=1S/C19H15Cl2N3O3/c1-12(25)18-6-5-16(27-18)11-24-10-15(9-22-24)23-19(26)7-3-13-2-4-14(20)8-17(13)21/h2-10H,11H2,1H3,(H,23,26)/b7-3-
InChIKeyRYTZEHUZCKEPJF-CLTKARDFSA-N
XLogP4.69
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 54.69
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-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 66929129
(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide
CID 66928421
(E)-3-(2-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19409875
3-(1,3-benzodioxol-5-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 74640560
(E)-3-(2-chlorophenyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19336376
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl]phenyl]prop-2-enamide
CID 6184980
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 66928869
3-(2-chlorophenyl)-N-[1-(5-oxohexyl)pyrazol-4-yl]prop-2-enamide
CID 66928257
naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate
CID 42645812
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
3-(1,5-dimethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 5234112

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide (CID 66928566) is (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide is CC(=O)c1ccc(Cn2cc(NC(=O)/C=C\c3ccc(Cl)cc3Cl)cn2)o1.
What is the InChIKey of (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is RYTZEHUZCKEPJF-CLTKARDFSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3/c1-12(25)18-6-5-16(27-18)11-24-10-15(9-22-24)23-19(26)7-3-13-2-4-14(20)8-17(13)21/h2-10H,11H2,1H3,(H,23,26)/b7-3-.
What are the key properties of (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide?
(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 404.25 g/mol, XLogP of 4.69, 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-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 66928566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).