methyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate

C24H18FN3O3 — CID 2140159

IUPACmethyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H18FN3O3/c1-31-24(30)17-9-13-19(14-10-17)26-23(29)21-15-28(20-5-3-2-4-6-20)27-22(21)16-7-11-18(25)12-8-16/h2-15H,1H3,(H,26,29)
InChIKeyBLKOVRYNKOVNPH-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.72
Rot. Bonds5

About methyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate

methyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate (PubChem CID 2140159) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is methyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
PubChem CID2140159
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC Namemethyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H18FN3O3/c1-31-24(30)17-9-13-19(14-10-17)26-23(29)21-15-28(20-5-3-2-4-6-20)27-22(21)16-7-11-18(25)12-8-16/h2-15H,1H3,(H,26,29)
InChIKeyBLKOVRYNKOVNPH-UHFFFAOYSA-N
XLogP4.72
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate (CID 2140159) is methyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of methyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The InChIKey is BLKOVRYNKOVNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c1-31-24(30)17-9-13-19(14-10-17)26-23(29)21-15-28(20-5-3-2-4-6-20)27-22(21)16-7-11-18(25)12-8-16/h2-15H,1H3,(H,26,29).
What are the key properties of methyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
methyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate has a molecular weight of 415.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 2140159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).