methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate

C8H10F3N3O2 — CID 121214119

IUPACmethyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate
SMILESCOC(=O)C(C)n1nc(C(F)(F)F)cc1N
InChIInChI=1S/C8H10F3N3O2/c1-4(7(15)16-2)14-6(12)3-5(13-14)8(9,10)11/h3-4H,12H2,1-2H3
InChIKeyLGCZCONWTXSFBO-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.22
Rot. Bonds2

About methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate

methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate (PubChem CID 121214119) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate
PubChem CID121214119
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Namemethyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate
SMILESCOC(=O)C(C)n1nc(C(F)(F)F)cc1N
InChIInChI=1S/C8H10F3N3O2/c1-4(7(15)16-2)14-6(12)3-5(13-14)8(9,10)11/h3-4H,12H2,1-2H3
InChIKeyLGCZCONWTXSFBO-UHFFFAOYSA-N
XLogP1.22
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate?
The IUPAC name of methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate (CID 121214119) is methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate.
What is the SMILES notation for methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate?
The canonical SMILES for methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate is COC(=O)C(C)n1nc(C(F)(F)F)cc1N.
What is the InChIKey of methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate?
The InChIKey is LGCZCONWTXSFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-4(7(15)16-2)14-6(12)3-5(13-14)8(9,10)11/h3-4H,12H2,1-2H3.
What are the key properties of methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate?
methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate has a molecular weight of 237.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]propanoate is sourced from PubChem (CID 121214119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).