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

C23H20N2O3 — CID 5181298

IUPAC4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C23H20N2O3/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-7-18(8-12-19)23(26)27/h2-14,22H,15H2,1H3,(H,26,27)
InChIKeyJEJBPHYWZWXQDE-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.75
Rot. Bonds5

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

4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid (PubChem CID 5181298) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid
PubChem CID5181298
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C23H20N2O3/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-7-18(8-12-19)23(26)27/h2-14,22H,15H2,1H3,(H,26,27)
InChIKeyJEJBPHYWZWXQDE-UHFFFAOYSA-N
XLogP4.75
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 349865
4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-benzoic acid
CID 2853037
2-[5-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4419144
4-[5-(4-Methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 4609705
4-[(4-{[(4E)-5-Oxo-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenoxy)methyl]benzoic acid
CID 16194028
2-Chloro-5-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid
CID 2951170
4-[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide
CID 2952426
4-[3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 4611621
4-({4-[(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzoic acid
CID 5736415
4-[2-(4-Ethoxycarbonylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46915029
N-ethyl-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide
CID 164609673
N-butyl-4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzamide
CID 164610273

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid?
The IUPAC name of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid (CID 5181298) is 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid is COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid?
The InChIKey is JEJBPHYWZWXQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-7-18(8-12-19)23(26)27/h2-14,22H,15H2,1H3,(H,26,27).
What are the key properties of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid?
4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid has a molecular weight of 372.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid is sourced from PubChem (CID 5181298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).