3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid

C12H14F3N3O3 — CID 154848071

IUPAC3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cc(C(F)(F)F)nn1C1CC1
InChIInChI=1S/C12H14F3N3O3/c1-17(5-4-10(19)20)11(21)8-6-9(12(13,14)15)16-18(8)7-2-3-7/h6-7H,2-5H2,1H3,(H,19,20)
InChIKeyUGMFIGBXRYACAF-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.78
Rot. Bonds5

About 3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid

3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid (PubChem CID 154848071) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid
PubChem CID154848071
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cc(C(F)(F)F)nn1C1CC1
InChIInChI=1S/C12H14F3N3O3/c1-17(5-4-10(19)20)11(21)8-6-9(12(13,14)15)16-18(8)7-2-3-7/h6-7H,2-5H2,1H3,(H,19,20)
InChIKeyUGMFIGBXRYACAF-UHFFFAOYSA-N
XLogP1.78
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid (CID 154848071) is 3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)c1cc(C(F)(F)F)nn1C1CC1.
What is the InChIKey of 3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid?
The InChIKey is UGMFIGBXRYACAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-17(5-4-10(19)20)11(21)8-6-9(12(13,14)15)16-18(8)7-2-3-7/h6-7H,2-5H2,1H3,(H,19,20).
What are the key properties of 3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid?
3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid has a molecular weight of 305.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 154848071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).