2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid

C11H14F3N3O3 — CID 61013027

IUPAC2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O3/c1-2-4-16(7-10(19)20)9(18)6-17-5-3-8(15-17)11(12,13)14/h3,5H,2,4,6-7H2,1H3,(H,19,20)
InChIKeySSMXMONKTVUXAO-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.23
Rot. Bonds6

About 2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid

2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid (PubChem CID 61013027) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
PubChem CID61013027
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O3/c1-2-4-16(7-10(19)20)9(18)6-17-5-3-8(15-17)11(12,13)14/h3,5H,2,4,6-7H2,1H3,(H,19,20)
InChIKeySSMXMONKTVUXAO-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid (CID 61013027) is 2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid is CCCN(CC(=O)O)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
The InChIKey is SSMXMONKTVUXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-2-4-16(7-10(19)20)9(18)6-17-5-3-8(15-17)11(12,13)14/h3,5H,2,4,6-7H2,1H3,(H,19,20).
What are the key properties of 2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid has a molecular weight of 293.25 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 61013027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).