3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid

C8H5F6N3O3 — CID 103309201

IUPAC3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C(C(F)(F)F)C(F)(F)F)n[nH]1
InChIInChI=1S/C8H5F6N3O3/c9-7(10,11)4(8(12,13)14)5(18)15-3-1-2(6(19)20)16-17-3/h1,4H,(H,19,20)(H2,15,16,17,18)
InChIKeyMUGAKBPTIUOVNV-UHFFFAOYSA-N
MW305.13 g/mol
LogP1.79
Rot. Bonds3

About 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid

3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 103309201) has the molecular formula C8H5F6N3O3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID103309201
Molecular FormulaC8H5F6N3O3
Molecular Weight305.13 g/mol
Exact Mass305.02
IUPAC Name3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C(C(F)(F)F)C(F)(F)F)n[nH]1
InChIInChI=1S/C8H5F6N3O3/c9-7(10,11)4(8(12,13)14)5(18)15-3-1-2(6(19)20)16-17-3/h1,4H,(H,19,20)(H2,15,16,17,18)
InChIKeyMUGAKBPTIUOVNV-UHFFFAOYSA-N
XLogP1.79
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid (CID 103309201) is 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NC(=O)C(C(F)(F)F)C(F)(F)F)n[nH]1.
What is the InChIKey of 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is MUGAKBPTIUOVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6N3O3/c9-7(10,11)4(8(12,13)14)5(18)15-3-1-2(6(19)20)16-17-3/h1,4H,(H,19,20)(H2,15,16,17,18).
What are the key properties of 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 305.13 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 103309201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).