4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid

C22H17FN2O2 — CID 46914885

IUPAC4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H17FN2O2/c23-18-12-10-16(11-13-18)21-14-20(15-6-8-17(9-7-15)22(26)27)24-25(21)19-4-2-1-3-5-19/h1-13,21H,14H2,(H,26,27)
InChIKeyQVBALTUFBKAWIY-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.88
Rot. Bonds4

About 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid

4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid (PubChem CID 46914885) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid
PubChem CID46914885
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H17FN2O2/c23-18-12-10-16(11-13-18)21-14-20(15-6-8-17(9-7-15)22(26)27)24-25(21)19-4-2-1-3-5-19/h1-13,21H,14H2,(H,26,27)
InChIKeyQVBALTUFBKAWIY-UHFFFAOYSA-N
XLogP4.88
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-cyanophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46914884
4-[(3R)-2-(3-chloro-4-cyanophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46915203
4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 70518687
4-[3-(4-fluorophenyl)-5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 46914883
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
(3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 7209562
(3S)-2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657115
(3R)-2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657116
(3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole
CID 7127302
3,5-bis(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 71408472
2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole
CID 3422586
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid?
The IUPAC name of 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid (CID 46914885) is 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid?
The canonical SMILES for 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid is O=C(O)c1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid?
The InChIKey is QVBALTUFBKAWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-18-12-10-16(11-13-18)21-14-20(15-6-8-17(9-7-15)22(26)27)24-25(21)19-4-2-1-3-5-19/h1-13,21H,14H2,(H,26,27).
What are the key properties of 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid?
4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid has a molecular weight of 360.39 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid is sourced from PubChem (CID 46914885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).