2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C11H14F3N3O3 — CID 79258620

IUPAC2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1n[nH]c(C)c1CC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c1-6-8(7(2)16-15-6)3-9(18)17(4-10(19)20)5-11(12,13)14/h3-5H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyRWBFASNLRAZDRM-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.04
Rot. Bonds5

About 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258620) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258620
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1n[nH]c(C)c1CC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c1-6-8(7(2)16-15-6)3-9(18)17(4-10(19)20)5-11(12,13)14/h3-5H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyRWBFASNLRAZDRM-UHFFFAOYSA-N
XLogP1.04
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258620) is 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1n[nH]c(C)c1CC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is RWBFASNLRAZDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-6-8(7(2)16-15-6)3-9(18)17(4-10(19)20)5-11(12,13)14/h3-5H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 293.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).