5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid

C11H14F3N3O3 — CID 62033586

IUPAC5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)8-4-6-17(16-8)7-9(18)15-5-2-1-3-10(19)20/h4,6H,1-3,5,7H2,(H,15,18)(H,19,20)
InChIKeyXMMWNZXEHCPTIR-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.27
Rot. Bonds7

About 5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid

5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid (PubChem CID 62033586) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
PubChem CID62033586
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)8-4-6-17(16-8)7-9(18)15-5-2-1-3-10(19)20/h4,6H,1-3,5,7H2,(H,15,18)(H,19,20)
InChIKeyXMMWNZXEHCPTIR-UHFFFAOYSA-N
XLogP1.27
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid (CID 62033586) is 5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid?
The InChIKey is XMMWNZXEHCPTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c12-11(13,14)8-4-6-17(16-8)7-9(18)15-5-2-1-3-10(19)20/h4,6H,1-3,5,7H2,(H,15,18)(H,19,20).
What are the key properties of 5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid?
5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid has a molecular weight of 293.25 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid is sourced from PubChem (CID 62033586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).