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

C16H11FN2O2 — CID 21418433

IUPAC1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(F)c2)cc1-c1ccccc1
InChIInChI=1S/C16H11FN2O2/c17-12-7-4-8-13(9-12)19-10-14(15(18-19)16(20)21)11-5-2-1-3-6-11/h1-10H,(H,20,21)
InChIKeyNPPSTVPVQGGSNC-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.38
Rot. Bonds3

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

1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid (PubChem CID 21418433) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid
PubChem CID21418433
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(F)c2)cc1-c1ccccc1
InChIInChI=1S/C16H11FN2O2/c17-12-7-4-8-13(9-12)19-10-14(15(18-19)16(20)21)11-5-2-1-3-6-11/h1-10H,(H,20,21)
InChIKeyNPPSTVPVQGGSNC-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid (CID 21418433) is 1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid is O=C(O)c1nn(-c2cccc(F)c2)cc1-c1ccccc1.
What is the InChIKey of 1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid?
The InChIKey is NPPSTVPVQGGSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-12-7-4-8-13(9-12)19-10-14(15(18-19)16(20)21)11-5-2-1-3-6-11/h1-10H,(H,20,21).
What are the key properties of 1-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid?
1-(3-fluorophenyl)-4-phenylpyrazole-3-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-(3-fluorophenyl)-4-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 21418433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).