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

C19H15ClFN3O3 — CID 66928421

IUPAC(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide
SMILESCC(=O)c1ccc(Cn2ccc(NC(=O)/C=C\c3ccc(F)cc3Cl)n2)o1
InChIInChI=1S/C19H15ClFN3O3/c1-12(25)17-6-5-15(27-17)11-24-9-8-18(23-24)22-19(26)7-3-13-2-4-14(21)10-16(13)20/h2-10H,11H2,1H3,(H,22,23,26)/b7-3-
InChIKeyOOEFMGWAWARVHE-CLTKARDFSA-N
MW387.80 g/mol
LogP4.17
Rot. Bonds6

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

(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide (PubChem CID 66928421) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide
PubChem CID66928421
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC Name(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide
SMILESCC(=O)c1ccc(Cn2ccc(NC(=O)/C=C\c3ccc(F)cc3Cl)n2)o1
InChIInChI=1S/C19H15ClFN3O3/c1-12(25)17-6-5-15(27-17)11-24-9-8-18(23-24)22-19(26)7-3-13-2-4-14(21)10-16(13)20/h2-10H,11H2,1H3,(H,22,23,26)/b7-3-
InChIKeyOOEFMGWAWARVHE-CLTKARDFSA-N
XLogP4.17
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 66929064
(E)-3-(2-chloro-4-fluorophenyl)-N-[1-(5-oxohexyl)pyrazol-3-yl]prop-2-enamide
CID 66928913
(2-chloro-4-fluorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate
CID 42647025
(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 66928566
(E)-3-(2-chlorophenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19283652
(E)-3-(2-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19406967
(2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate
CID 42647027
(E)-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19403044
(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide
CID 67364118
3-(2-chlorophenyl)-N-[1-(5-oxohexyl)pyrazol-3-yl]prop-2-enamide
CID 66929654
(E)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 42645324
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19468072

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide (CID 66928421) is (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide is CC(=O)c1ccc(Cn2ccc(NC(=O)/C=C\c3ccc(F)cc3Cl)n2)o1.
What is the InChIKey of (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide?
The InChIKey is OOEFMGWAWARVHE-CLTKARDFSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-12(25)17-6-5-15(27-17)11-24-9-8-18(23-24)22-19(26)7-3-13-2-4-14(21)10-16(13)20/h2-10H,11H2,1H3,(H,22,23,26)/b7-3-.
What are the key properties of (Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide?
(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide has a molecular weight of 387.80 g/mol, XLogP of 4.17, 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-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 66928421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).