methyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate

C7H9F2N3O2 — CID 154881958

IUPACmethyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate
SMILESCOC(=O)CNc1ccn(C(F)F)n1
InChIInChI=1S/C7H9F2N3O2/c1-14-6(13)4-10-5-2-3-12(11-5)7(8)9/h2-3,7H,4H2,1H3,(H,10,11)
InChIKeyZEFVOXPVAXEXQS-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.86
Rot. Bonds4

About methyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate

methyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate (PubChem CID 154881958) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is methyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate
PubChem CID154881958
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Namemethyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate
SMILESCOC(=O)CNc1ccn(C(F)F)n1
InChIInChI=1S/C7H9F2N3O2/c1-14-6(13)4-10-5-2-3-12(11-5)7(8)9/h2-3,7H,4H2,1H3,(H,10,11)
InChIKeyZEFVOXPVAXEXQS-UHFFFAOYSA-N
XLogP0.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate?
The IUPAC name of methyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate (CID 154881958) is methyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate is COC(=O)CNc1ccn(C(F)F)n1.
What is the InChIKey of methyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate?
The InChIKey is ZEFVOXPVAXEXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c1-14-6(13)4-10-5-2-3-12(11-5)7(8)9/h2-3,7H,4H2,1H3,(H,10,11).
What are the key properties of methyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate?
methyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate has a molecular weight of 205.16 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(difluoromethyl)pyrazol-3-yl]amino]acetate is sourced from PubChem (CID 154881958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).