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

C18H17FN4O2 — CID 46549199

IUPAC5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NCc2ccc(F)cc2)=NN1c1ccccc1
InChIInChI=1S/C18H17FN4O2/c19-13-8-6-12(7-9-13)11-21-18(25)15-10-16(17(20)24)23(22-15)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H2,20,24)(H,21,25)
InChIKeyKFGOUQHXJYHLNF-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.56
Rot. Bonds5

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

5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 46549199) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID46549199
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NCc2ccc(F)cc2)=NN1c1ccccc1
InChIInChI=1S/C18H17FN4O2/c19-13-8-6-12(7-9-13)11-21-18(25)15-10-16(17(20)24)23(22-15)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H2,20,24)(H,21,25)
InChIKeyKFGOUQHXJYHLNF-UHFFFAOYSA-N
XLogP1.56
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 46549199) is 5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)NCc2ccc(F)cc2)=NN1c1ccccc1.
What is the InChIKey of 5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is KFGOUQHXJYHLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-8-6-12(7-9-13)11-21-18(25)15-10-16(17(20)24)23(22-15)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H2,20,24)(H,21,25).
What are the key properties of 5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 340.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-fluorophenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 46549199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).