methyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate

C13H14FN3O2 — CID 91648168

IUPACmethyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate
SMILESCOC(=O)C(Nc1cnn(C)c1)c1ccccc1F
InChIInChI=1S/C13H14FN3O2/c1-17-8-9(7-15-17)16-12(13(18)19-2)10-5-3-4-6-11(10)14/h3-8,12,16H,1-2H3
InChIKeyOGHVKKIXJSEKKW-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.89
Rot. Bonds4

About methyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate

methyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate (PubChem CID 91648168) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate
PubChem CID91648168
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Namemethyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate
SMILESCOC(=O)C(Nc1cnn(C)c1)c1ccccc1F
InChIInChI=1S/C13H14FN3O2/c1-17-8-9(7-15-17)16-12(13(18)19-2)10-5-3-4-6-11(10)14/h3-8,12,16H,1-2H3
InChIKeyOGHVKKIXJSEKKW-UHFFFAOYSA-N
XLogP1.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate?
The IUPAC name of methyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate (CID 91648168) is methyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate is COC(=O)C(Nc1cnn(C)c1)c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate?
The InChIKey is OGHVKKIXJSEKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-17-8-9(7-15-17)16-12(13(18)19-2)10-5-3-4-6-11(10)14/h3-8,12,16H,1-2H3.
What are the key properties of methyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate?
methyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate has a molecular weight of 263.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]acetate is sourced from PubChem (CID 91648168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).