2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate

C7H9F2N3O2 — CID 62111580

IUPAC2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCC(F)F)n1
InChIInChI=1S/C7H9F2N3O2/c8-5(9)4-14-7(13)3-12-2-1-6(10)11-12/h1-2,5H,3-4H2,(H2,10,11)
InChIKeyUEHPLGLRATZOQA-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.27
Rot. Bonds4

About 2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate

2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 62111580) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID62111580
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCC(F)F)n1
InChIInChI=1S/C7H9F2N3O2/c8-5(9)4-14-7(13)3-12-2-1-6(10)11-12/h1-2,5H,3-4H2,(H2,10,11)
InChIKeyUEHPLGLRATZOQA-UHFFFAOYSA-N
XLogP0.27
TPSA70.14 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 ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 45116728
ethyl 2-(3-amino-1H-pyrazol-1-yl)acetate
CID 5200378
methyl 2-(3-amino-1H-pyrazol-1-yl)acetate
CID 50989159
methyl 3-(3-amino-1H-pyrazol-1-yl)propanoate
CID 63949312
1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazol-3-amine
CID 61490885
ethyl 2-(5-amino-1H-pyrazol-1-yl)acetate hydrochloride
CID 165758789
ethyl 2-(3-amino-1H-pyrazol-1-yl)pentanoate
CID 83040824
ethyl 2-(5-amino-1H-pyrazol-1-yl)acetate
CID 63277595
2-Ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 68726135
2,2,2-Trifluoroacetic acid;1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 118092447
1-(3-Aminopyrazol-1-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
CID 118113709
4,4-Difluorobut-3-enyl 2-pyrazol-1-ylacetate
CID 163220356

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of 2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate (CID 62111580) is 2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for 2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for 2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate is Nc1ccn(CC(=O)OCC(F)F)n1.
What is the InChIKey of 2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is UEHPLGLRATZOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c8-5(9)4-14-7(13)3-12-2-1-6(10)11-12/h1-2,5H,3-4H2,(H2,10,11).
What are the key properties of 2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate?
2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 205.16 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 62111580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).