2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H14F3N3O3 — CID 102810252

IUPAC2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1nn(C)cc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c1-3-8-7(4-16(2)15-8)10(20)17(5-9(18)19)6-11(12,13)14/h4H,3,5-6H2,1-2H3,(H,18,19)
InChIKeyQSTKLBYPVZVRKR-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.07
Rot. Bonds5

About 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 102810252) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID102810252
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1nn(C)cc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c1-3-8-7(4-16(2)15-8)10(20)17(5-9(18)19)6-11(12,13)14/h4H,3,5-6H2,1-2H3,(H,18,19)
InChIKeyQSTKLBYPVZVRKR-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 102810252) is 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCc1nn(C)cc1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is QSTKLBYPVZVRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-3-8-7(4-16(2)15-8)10(20)17(5-9(18)19)6-11(12,13)14/h4H,3,5-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 293.25 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 102810252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).