3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide

C23H24FN3O2 — CID 46042928

IUPAC3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1c(C)nn(-c2ccccc2C)c1Oc1cccc(F)c1
InChIInChI=1S/C23H24FN3O2/c1-4-14-25-22(28)13-12-20-17(3)26-27(21-11-6-5-8-16(21)2)23(20)29-19-10-7-9-18(24)15-19/h4-11,15H,1,12-14H2,2-3H3,(H,25,28)
InChIKeyLSVBHXAYQFESQP-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.66
Rot. Bonds8

About 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide

3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide (PubChem CID 46042928) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
PubChem CID46042928
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1c(C)nn(-c2ccccc2C)c1Oc1cccc(F)c1
InChIInChI=1S/C23H24FN3O2/c1-4-14-25-22(28)13-12-20-17(3)26-27(21-11-6-5-8-16(21)2)23(20)29-19-10-7-9-18(24)15-19/h4-11,15H,1,12-14H2,2-3H3,(H,25,28)
InChIKeyLSVBHXAYQFESQP-UHFFFAOYSA-N
XLogP4.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide 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 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide (CID 46042928) is 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)CCc1c(C)nn(-c2ccccc2C)c1Oc1cccc(F)c1.
What is the InChIKey of 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide?
The InChIKey is LSVBHXAYQFESQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-4-14-25-22(28)13-12-20-17(3)26-27(21-11-6-5-8-16(21)2)23(20)29-19-10-7-9-18(24)15-19/h4-11,15H,1,12-14H2,2-3H3,(H,25,28).
What are the key properties of 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide?
3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide has a molecular weight of 393.46 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 46042928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).