(3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide

C19H19FN4O2 — CID 25472935

IUPAC(3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCCc1cccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1
InChIInChI=1S/C19H19FN4O2/c1-2-12-4-3-5-14(10-12)22-19(26)16-11-17(18(21)25)24(23-16)15-8-6-13(20)7-9-15/h3-10,17H,2,11H2,1H3,(H2,21,25)(H,22,26)/t17-/m1/s1
InChIKeyFJTKDLXFHHKKQG-QGZVFWFLSA-N
MW354.39 g/mol
LogP2.45
Rot. Bonds5

About (3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide

(3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 25472935) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is (3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name(3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID25472935
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name(3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCCc1cccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1
InChIInChI=1S/C19H19FN4O2/c1-2-12-4-3-5-14(10-12)22-19(26)16-11-17(18(21)25)24(23-16)15-8-6-13(20)7-9-15/h3-10,17H,2,11H2,1H3,(H2,21,25)(H,22,26)/t17-/m1/s1
InChIKeyFJTKDLXFHHKKQG-QGZVFWFLSA-N
XLogP2.45
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-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 (3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of (3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide (CID 25472935) is (3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for (3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for (3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide is CCc1cccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1.
What is the InChIKey of (3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is FJTKDLXFHHKKQG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-2-12-4-3-5-14(10-12)22-19(26)16-11-17(18(21)25)24(23-16)15-8-6-13(20)7-9-15/h3-10,17H,2,11H2,1H3,(H2,21,25)(H,22,26)/t17-/m1/s1.
What are the key properties of (3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
(3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 354.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 25472935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).