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

C8H11F2N3O2 — CID 162758075

IUPACmethyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate
SMILESCOC(=O)C(N)Cc1ccn(C(F)F)n1
InChIInChI=1S/C8H11F2N3O2/c1-15-7(14)6(11)4-5-2-3-13(12-5)8(9)10/h2-3,6,8H,4,11H2,1H3
InChIKeyPXVRXNYVBZVGIJ-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.32
Rot. Bonds4

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

methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate (PubChem CID 162758075) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate
PubChem CID162758075
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Namemethyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate
SMILESCOC(=O)C(N)Cc1ccn(C(F)F)n1
InChIInChI=1S/C8H11F2N3O2/c1-15-7(14)6(11)4-5-2-3-13(12-5)8(9)10/h2-3,6,8H,4,11H2,1H3
InChIKeyPXVRXNYVBZVGIJ-UHFFFAOYSA-N
XLogP0.32
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methyl-1H-pyrazol-3-yl)propanoic acid
CID 19622629
Methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate
CID 67049543
methyl 2-amino-2-(1-methyl-1H-pyrazol-3-yl)acetate hydrochloride
CID 75494262
Methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate
CID 118149705
3-(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-yl)propanoic acid
CID 146256744
Methyl 3-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162758216
3-[2-(1,2,2-Trifluoroethyl)pyrazol-3-yl]propanoic acid
CID 175505387
3-(1-Methylpyrazol-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid
CID 175877351
3-[1-(Difluoromethyl)pyrazol-3-yl]propanoic acid
CID 175976138
Methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 55143180
Methyl 2-amino-2-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]hexanoate
CID 61924640
Ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 63039947

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate (CID 162758075) is methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate is COC(=O)C(N)Cc1ccn(C(F)F)n1.
What is the InChIKey of methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate?
The InChIKey is PXVRXNYVBZVGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-15-7(14)6(11)4-5-2-3-13(12-5)8(9)10/h2-3,6,8H,4,11H2,1H3.
What are the key properties of methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate?
methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate has a molecular weight of 219.19 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate is sourced from PubChem (CID 162758075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).