1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid

C13H10F4N2O5 — CID 161495954

IUPAC1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C(=O)O)nn1-c1ccccc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C11H9FN2O3.C2HF3O2/c1-17-10-6-8(11(15)16)13-14(10)9-5-3-2-4-7(9)12;3-2(4,5)1(6)7/h2-6H,1H3,(H,15,16);(H,6,7)
InChIKeyWGEXAVKKFORQNH-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.35
Rot. Bonds3

About 1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid

1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 161495954) has the molecular formula C13H10F4N2O5 and a molecular weight of 350.22 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID161495954
Molecular FormulaC13H10F4N2O5
Molecular Weight350.22 g/mol
Exact Mass350.05
IUPAC Name1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C(=O)O)nn1-c1ccccc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C11H9FN2O3.C2HF3O2/c1-17-10-6-8(11(15)16)13-14(10)9-5-3-2-4-7(9)12;3-2(4,5)1(6)7/h2-6H,1H3,(H,15,16);(H,6,7)
InChIKeyWGEXAVKKFORQNH-UHFFFAOYSA-N
XLogP2.35
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 60725596
ethyl 4-[[1-(2-fluorophenyl)-5-methoxypyrazole-3-carbonyl]amino]-3-(2-methylphenyl)butanoate
CID 163472725
1-(5-methoxy-1-phenylpyrazol-3-yl)ethanone
CID 90129522
1-(2-fluorophenyl)-8-methoxy-4-oxocinnoline-3-carboxylic acid
CID 11723134
N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide
CID 67379566
N-[(1S)-3-[cyano(methyl)amino]-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide
CID 123717534
[6-(5-bromo-3-pyridinyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[1-(2-fluorophenyl)-5-methoxypyrazol-3-yl]methanone
CID 171698327
methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate
CID 67363585
1-(2-fluorophenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid
CID 82361990
1-(2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82376265
5-amino-1-(2-fluorophenyl)-3-methylpyrazole-4-carboxylic acid
CID 71044411
1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421480

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 161495954) is 1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid is COc1cc(C(=O)O)nn1-c1ccccc1F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is WGEXAVKKFORQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3.C2HF3O2/c1-17-10-6-8(11(15)16)13-14(10)9-5-3-2-4-7(9)12;3-2(4,5)1(6)7/h2-6H,1H3,(H,15,16);(H,6,7).
What are the key properties of 1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid?
1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 350.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161495954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).