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

C8H10F3N3O2 — CID 83440849

IUPAC2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid
SMILESCn1nc(C(F)(F)F)cc1CC(N)C(=O)O
InChIInChI=1S/C8H10F3N3O2/c1-14-4(2-5(12)7(15)16)3-6(13-14)8(9,10)11/h3,5H,2,12H2,1H3,(H,15,16)
InChIKeyUUDRMDBUCVRCAC-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.39
Rot. Bonds3

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

2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid (PubChem CID 83440849) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid
PubChem CID83440849
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid
SMILESCn1nc(C(F)(F)F)cc1CC(N)C(=O)O
InChIInChI=1S/C8H10F3N3O2/c1-14-4(2-5(12)7(15)16)3-6(13-14)8(9,10)11/h3,5H,2,12H2,1H3,(H,15,16)
InChIKeyUUDRMDBUCVRCAC-UHFFFAOYSA-N
XLogP0.39
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid (CID 83440849) is 2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid is Cn1nc(C(F)(F)F)cc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid?
The InChIKey is UUDRMDBUCVRCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-14-4(2-5(12)7(15)16)3-6(13-14)8(9,10)11/h3,5H,2,12H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid?
2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid has a molecular weight of 237.18 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid is sourced from PubChem (CID 83440849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).