N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide

C20H19F2N3O2 — CID 66928924

IUPACN-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cnn(Cc3ccc(C(C)(F)F)o3)c2)cc1
InChIInChI=1S/C20H19F2N3O2/c1-14-3-5-15(6-4-14)7-10-19(26)24-16-11-23-25(12-16)13-17-8-9-18(27-17)20(2,21)22/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyFQHGOYMNRYFBLC-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.60
Rot. Bonds6

About N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide

N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 66928924) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID66928924
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC NameN-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cnn(Cc3ccc(C(C)(F)F)o3)c2)cc1
InChIInChI=1S/C20H19F2N3O2/c1-14-3-5-15(6-4-14)7-10-19(26)24-16-11-23-25(12-16)13-17-8-9-18(27-17)20(2,21)22/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyFQHGOYMNRYFBLC-UHFFFAOYSA-N
XLogP4.60
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)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

(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 66929129
(E)-3-(4-fluorophenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]prop-2-enamide
CID 19410926
N-methyl-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazol-4-amine
CID 175094718
(Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide
CID 97359500
N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 66929054
(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 66928566
4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate
CID 7309764
(Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide
CID 19397952
3-(1,3-benzodioxol-5-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 74640560
(E)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19338188
(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19340489
N-[1-(5,5-difluorohexyl)pyrazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 66929176

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide (CID 66928924) is N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2cnn(Cc3ccc(C(C)(F)F)o3)c2)cc1.
What is the InChIKey of N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is FQHGOYMNRYFBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-14-3-5-15(6-4-14)7-10-19(26)24-16-11-23-25(12-16)13-17-8-9-18(27-17)20(2,21)22/h3-12H,13H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide?
N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 371.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 66928924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).