phenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate

C22H15FN2O2 — CID 1342854

IUPACphenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
SMILESO=C(Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O2/c23-17-13-11-16(12-14-17)21-20(22(26)27-19-9-5-2-6-10-19)15-25(24-21)18-7-3-1-4-8-18/h1-15H
InChIKeyZHROORHKABBACU-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.90
Rot. Bonds4

About phenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate

phenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 1342854) has the molecular formula C22H15FN2O2 and a molecular weight of 358.37 g/mol. Its IUPAC name is phenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Namephenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID1342854
Molecular FormulaC22H15FN2O2
Molecular Weight358.37 g/mol
Exact Mass358.11
IUPAC Namephenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
SMILESO=C(Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O2/c23-17-13-11-16(12-14-17)21-20(22(26)27-19-9-5-2-6-10-19)15-25(24-21)18-7-3-1-4-8-18/h1-15H
InChIKeyZHROORHKABBACU-UHFFFAOYSA-N
XLogP4.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2H-1-Benzopyran-2-one, 7-(3-methyl-1H-pyrazol-1-yl)-3-phenyl-
CID 80122
3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
3-(3-Amino-4-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 1087054
1-benzyl-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 2608796
ST51001558
CID 342056
2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
CID 6409092
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 788035
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417459
4-fluoro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417460

Frequently Asked Questions

What is the IUPAC name of phenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of phenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate (CID 1342854) is phenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for phenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for phenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate is O=C(Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of phenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is ZHROORHKABBACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O2/c23-17-13-11-16(12-14-17)21-20(22(26)27-19-9-5-2-6-10-19)15-25(24-21)18-7-3-1-4-8-18/h1-15H.
What are the key properties of phenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
phenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 358.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 1342854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).