3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide

C24H20FN3O — CID 4015371

IUPAC3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)n(-c3ccccc3)n2)cc1C
InChIInChI=1S/C24H20FN3O/c1-16-8-9-18(14-17(16)2)22-15-23(28(27-22)21-6-4-3-5-7-21)24(29)26-20-12-10-19(25)11-13-20/h3-15H,1-2H3,(H,26,29)
InChIKeyBXPUFERJONFTNO-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.55
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide

3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide (PubChem CID 4015371) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide
PubChem CID4015371
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC Name3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)n(-c3ccccc3)n2)cc1C
InChIInChI=1S/C24H20FN3O/c1-16-8-9-18(14-17(16)2)22-15-23(28(27-22)21-6-4-3-5-7-21)24(29)26-20-12-10-19(25)11-13-20/h3-15H,1-2H3,(H,26,29)
InChIKeyBXPUFERJONFTNO-UHFFFAOYSA-N
XLogP5.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide (CID 4015371) is 3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)n(-c3ccccc3)n2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is BXPUFERJONFTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-16-8-9-18(14-17(16)2)22-15-23(28(27-22)21-6-4-3-5-7-21)24(29)26-20-12-10-19(25)11-13-20/h3-15H,1-2H3,(H,26,29).
What are the key properties of 3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide?
3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 4015371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).