3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid

C10H12F3N3O3 — CID 79795735

IUPAC3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid
SMILESCC(NC(=O)CCn1cccn1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c1-9(8(18)19,10(11,12)13)15-7(17)3-6-16-5-2-4-14-16/h2,4-5H,3,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyYSVJEOGXOXUDDX-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.80
Rot. Bonds5

About 3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid

3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid (PubChem CID 79795735) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid
PubChem CID79795735
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid
SMILESCC(NC(=O)CCn1cccn1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c1-9(8(18)19,10(11,12)13)15-7(17)3-6-16-5-2-4-14-16/h2,4-5H,3,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyYSVJEOGXOXUDDX-UHFFFAOYSA-N
XLogP0.80
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid with MolForge

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Related Compounds

N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide
CID 115870093
3,3,3-trifluoro-2-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
CID 79791861
4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid
CID 119357108
(2R)-3,3-dimethyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 113353064
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide
CID 104858205
N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide
CID 114383611
2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid
CID 84654305
2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 62817737
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79792060
N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
CID 82854624

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid (CID 79795735) is 3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid is CC(NC(=O)CCn1cccn1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid?
The InChIKey is YSVJEOGXOXUDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-9(8(18)19,10(11,12)13)15-7(17)3-6-16-5-2-4-14-16/h2,4-5H,3,6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid?
3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid has a molecular weight of 279.22 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 79795735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).