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

C24H22N2O4 — CID 66548445

IUPAC4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
SMILESCOc1ccc(C2CC(c3ccccc3OC)=NN2c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H22N2O4/c1-29-19-13-9-16(10-14-19)22-15-21(20-5-3-4-6-23(20)30-2)25-26(22)18-11-7-17(8-12-18)24(27)28/h3-14,22H,15H2,1-2H3,(H,27,28)
InChIKeySGXGRYNXXLPGLY-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.76
Rot. Bonds6

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

4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid (PubChem CID 66548445) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
PubChem CID66548445
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
SMILESCOc1ccc(C2CC(c3ccccc3OC)=NN2c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H22N2O4/c1-29-19-13-9-16(10-14-19)22-15-21(20-5-3-4-6-23(20)30-2)25-26(22)18-11-7-17(8-12-18)24(27)28/h3-14,22H,15H2,1-2H3,(H,27,28)
InChIKeySGXGRYNXXLPGLY-UHFFFAOYSA-N
XLogP4.76
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-benzoic acid
CID 2853037
4-(5-(4-Methoxy-phenyl)-3-phenyl-4,5-dihydro-pyrazol-1-YL)-benzoic acid
CID 5181298
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
4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-6-methoxyisophthalaldehyde
CID 2881219
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
3-[5-(4-ethoxy-3-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-hydroxy-2H-chromen-2-one
CID 135460517

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid?
The IUPAC name of 4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid (CID 66548445) is 4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid?
The canonical SMILES for 4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid is COc1ccc(C2CC(c3ccccc3OC)=NN2c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid?
The InChIKey is SGXGRYNXXLPGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-29-19-13-9-16(10-14-19)22-15-21(20-5-3-4-6-23(20)30-2)25-26(22)18-11-7-17(8-12-18)24(27)28/h3-14,22H,15H2,1-2H3,(H,27,28).
What are the key properties of 4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid?
4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid has a molecular weight of 402.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid is sourced from PubChem (CID 66548445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).