methyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate

C9H14FN3O2 — CID 154881963

IUPACmethyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate
SMILESCOC(=O)CNc1nn(CCF)cc1C
InChIInChI=1S/C9H14FN3O2/c1-7-6-13(4-3-10)12-9(7)11-5-8(14)15-2/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyGIFBRSRTNOZVFN-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.75
Rot. Bonds5

About methyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate

methyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate (PubChem CID 154881963) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is methyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate
PubChem CID154881963
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Namemethyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate
SMILESCOC(=O)CNc1nn(CCF)cc1C
InChIInChI=1S/C9H14FN3O2/c1-7-6-13(4-3-10)12-9(7)11-5-8(14)15-2/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyGIFBRSRTNOZVFN-UHFFFAOYSA-N
XLogP0.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate?
The IUPAC name of methyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate (CID 154881963) is methyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate is COC(=O)CNc1nn(CCF)cc1C.
What is the InChIKey of methyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate?
The InChIKey is GIFBRSRTNOZVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c1-7-6-13(4-3-10)12-9(7)11-5-8(14)15-2/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of methyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate?
methyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate has a molecular weight of 215.23 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]acetate is sourced from PubChem (CID 154881963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).