3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid

C9H10F3N3O3 — CID 79795231

IUPAC3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCn1nccc1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O3/c1-8(7(17)18,9(10,11)12)14-6(16)5-3-4-13-15(5)2/h3-4H,1-2H3,(H,14,16)(H,17,18)
InChIKeyUOMNSOPNLFLZPE-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.56
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 79795231) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
PubChem CID79795231
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCn1nccc1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O3/c1-8(7(17)18,9(10,11)12)14-6(16)5-3-4-13-15(5)2/h3-4H,1-2H3,(H,14,16)(H,17,18)
InChIKeyUOMNSOPNLFLZPE-UHFFFAOYSA-N
XLogP0.56
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4-oxo-4H,5H-pyrazolo(1,5-a)pyrazine-7-carboxylic acid
CID 154872965
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide
CID 72151204
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 4534181
3-[3-(Methylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64777796
2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide
CID 51390284
[2-(difluoromethyl)pyrazol-3-yl]-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 51428515
(3S)-3-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 100243078
1-propan-2-yl-N-[(2S)-1-(2,2,2-trifluoroethoxy)butan-2-yl]pyrazole-3-carboxamide
CID 125144517
N-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 137998122
N-(2-sulfanylethyl)-2-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 177679904

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid (CID 79795231) is 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid is Cn1nccc1C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is UOMNSOPNLFLZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-8(7(17)18,9(10,11)12)14-6(16)5-3-4-13-15(5)2/h3-4H,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 265.19 g/mol, XLogP of 0.56, 3 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-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 79795231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).