1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid

C16H11FN2O2 — CID 43217709

IUPAC1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H11FN2O2/c17-12-6-8-13(9-7-12)19-10-14(16(20)21)15(18-19)11-4-2-1-3-5-11/h1-10H,(H,20,21)
InChIKeyYVWYHINARFGCCI-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.38
Rot. Bonds3

About 1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid

1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid (PubChem CID 43217709) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
PubChem CID43217709
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H11FN2O2/c17-12-6-8-13(9-7-12)19-10-14(16(20)21)15(18-19)11-4-2-1-3-5-11/h1-10H,(H,20,21)
InChIKeyYVWYHINARFGCCI-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543095
1-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-3-phenylpyrazole-4-carboxylic acid
CID 56714980
3-(4-fluorophenyl)-N',N'-dimethyl-1-phenylpyrazole-4-carbohydrazide
CID 9163796
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
[(1S)-1-(4-fluorophenyl)ethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 7842037
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 3710502
[4-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55850978
cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 17430545
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
(2-amino-2-oxoethyl) 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 2580785
3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 166792125
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid (CID 43217709) is 1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid?
The InChIKey is YVWYHINARFGCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-12-6-8-13(9-7-12)19-10-14(16(20)21)15(18-19)11-4-2-1-3-5-11/h1-10H,(H,20,21).
What are the key properties of 1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid?
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid has a molecular weight of 282.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43217709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).