5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide

C19H17BrF2N4O2 — CID 55579562

IUPAC5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)C1=NN(c2ccc(F)cc2)C(C(N)=O)C1
InChIInChI=1S/C19H17BrF2N4O2/c1-25(10-11-8-12(20)2-7-15(11)22)19(28)16-9-17(18(23)27)26(24-16)14-5-3-13(21)4-6-14/h2-8,17H,9-10H2,1H3,(H2,23,27)
InChIKeyDZKARWDXPOXUMY-UHFFFAOYSA-N
MW451.27 g/mol
LogP2.81
Rot. Bonds5

About 5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 55579562) has the molecular formula C19H17BrF2N4O2 and a molecular weight of 451.27 g/mol. Its IUPAC name is 5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID55579562
Molecular FormulaC19H17BrF2N4O2
Molecular Weight451.27 g/mol
Exact Mass450.05
IUPAC Name5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)C1=NN(c2ccc(F)cc2)C(C(N)=O)C1
InChIInChI=1S/C19H17BrF2N4O2/c1-25(10-11-8-12(20)2-7-15(11)22)19(28)16-9-17(18(23)27)26(24-16)14-5-3-13(21)4-6-14/h2-8,17H,9-10H2,1H3,(H2,23,27)
InChIKeyDZKARWDXPOXUMY-UHFFFAOYSA-N
XLogP2.81
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide 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 5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 55579562) is 5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide is CN(Cc1cc(Br)ccc1F)C(=O)C1=NN(c2ccc(F)cc2)C(C(N)=O)C1.
What is the InChIKey of 5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is DZKARWDXPOXUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF2N4O2/c1-25(10-11-8-12(20)2-7-15(11)22)19(28)16-9-17(18(23)27)26(24-16)14-5-3-13(21)4-6-14/h2-8,17H,9-10H2,1H3,(H2,23,27).
What are the key properties of 5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 451.27 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 55579562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).