methyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate

C19H18FN3O2 — CID 59286238

IUPACmethyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(C)nn1-c1cccc(F)c1C
InChIInChI=1S/C19H18FN3O2/c1-12-11-18(21-16-9-5-4-7-14(16)19(24)25-3)23(22-12)17-10-6-8-15(20)13(17)2/h4-11,21H,1-3H3
InChIKeyOKGDWQLZWPMEAV-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.16
Rot. Bonds4

About methyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate

methyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate (PubChem CID 59286238) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is methyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate
PubChem CID59286238
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Namemethyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(C)nn1-c1cccc(F)c1C
InChIInChI=1S/C19H18FN3O2/c1-12-11-18(21-16-9-5-4-7-14(16)19(24)25-3)23(22-12)17-10-6-8-15(20)13(17)2/h4-11,21H,1-3H3
InChIKeyOKGDWQLZWPMEAV-UHFFFAOYSA-N
XLogP4.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate (CID 59286238) is methyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate is COC(=O)c1ccccc1Nc1cc(C)nn1-c1cccc(F)c1C.
What is the InChIKey of methyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate?
The InChIKey is OKGDWQLZWPMEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12-11-18(21-16-9-5-4-7-14(16)19(24)25-3)23(22-12)17-10-6-8-15(20)13(17)2/h4-11,21H,1-3H3.
What are the key properties of methyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate?
methyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate has a molecular weight of 339.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]benzoate is sourced from PubChem (CID 59286238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).