methyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate

C18H15F2N3O2 — CID 59286324

IUPACmethyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(C)nn1-c1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O2/c1-11-9-17(21-15-6-4-3-5-13(15)18(24)25-2)23(22-11)16-8-7-12(19)10-14(16)20/h3-10,21H,1-2H3
InChIKeyDFXFJCCDMDASDR-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.99
Rot. Bonds4

About methyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate

methyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate (PubChem CID 59286324) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate
PubChem CID59286324
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Namemethyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(C)nn1-c1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O2/c1-11-9-17(21-15-6-4-3-5-13(15)18(24)25-2)23(22-11)16-8-7-12(19)10-14(16)20/h3-10,21H,1-2H3
InChIKeyDFXFJCCDMDASDR-UHFFFAOYSA-N
XLogP3.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate (CID 59286324) is methyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate is COC(=O)c1ccccc1Nc1cc(C)nn1-c1ccc(F)cc1F.
What is the InChIKey of methyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate?
The InChIKey is DFXFJCCDMDASDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-11-9-17(21-15-6-4-3-5-13(15)18(24)25-2)23(22-11)16-8-7-12(19)10-14(16)20/h3-10,21H,1-2H3.
What are the key properties of methyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate?
methyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate has a molecular weight of 343.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]amino]benzoate is sourced from PubChem (CID 59286324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).