4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide

C19H16FN3O — CID 134691492

IUPAC4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide
SMILESO=C(CC=Cc1ccc(F)cc1)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H16FN3O/c20-16-11-9-15(10-12-16)5-4-8-19(24)22-17-13-21-23(14-17)18-6-2-1-3-7-18/h1-7,9-14H,8H2,(H,22,24)
InChIKeyBRGKAASBILAIDG-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.05
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide

4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide (PubChem CID 134691492) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide
PubChem CID134691492
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide
SMILESO=C(CC=Cc1ccc(F)cc1)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H16FN3O/c20-16-11-9-15(10-12-16)5-4-8-19(24)22-17-13-21-23(14-17)18-6-2-1-3-7-18/h1-7,9-14H,8H2,(H,22,24)
InChIKeyBRGKAASBILAIDG-UHFFFAOYSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide (CID 134691492) is 4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide is O=C(CC=Cc1ccc(F)cc1)Nc1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide?
The InChIKey is BRGKAASBILAIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-16-11-9-15(10-12-16)5-4-8-19(24)22-17-13-21-23(14-17)18-6-2-1-3-7-18/h1-7,9-14H,8H2,(H,22,24).
What are the key properties of 4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide?
4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide has a molecular weight of 321.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(1-phenylpyrazol-4-yl)but-3-enamide is sourced from PubChem (CID 134691492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).