2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C11H14F3N3O3 — CID 79796156

IUPAC2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCn1nc(C)cc1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c1-4-17-7(5-6(2)16-17)8(18)15-10(3,9(19)20)11(12,13)14/h5H,4H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyYNQCAJVKAZQWMP-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.35
Rot. Bonds4

About 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79796156) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79796156
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCn1nc(C)cc1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c1-4-17-7(5-6(2)16-17)8(18)15-10(3,9(19)20)11(12,13)14/h5H,4H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyYNQCAJVKAZQWMP-UHFFFAOYSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79796156) is 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is CCn1nc(C)cc1C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is YNQCAJVKAZQWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-4-17-7(5-6(2)16-17)8(18)15-10(3,9(19)20)11(12,13)14/h5H,4H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 293.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79796156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).