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

C24H22N2O3 — CID 164620461

IUPAC4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
SMILESCOc1ccc(C2CC(c3ccccc3C)=NN2c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-16-5-3-4-6-21(16)22-15-23(17-9-13-20(29-2)14-10-17)26(25-22)19-11-7-18(8-12-19)24(27)28/h3-14,23H,15H2,1-2H3,(H,27,28)
InChIKeyGXQWCRIDLAPVTM-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.06
Rot. Bonds5

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

4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid (PubChem CID 164620461) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
PubChem CID164620461
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
SMILESCOc1ccc(C2CC(c3ccccc3C)=NN2c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-16-5-3-4-6-21(16)22-15-23(17-9-13-20(29-2)14-10-17)26(25-22)19-11-7-18(8-12-19)24(27)28/h3-14,23H,15H2,1-2H3,(H,27,28)
InChIKeyGXQWCRIDLAPVTM-UHFFFAOYSA-N
XLogP5.06
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 70518687
N-butyl-4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzamide
CID 164610273
4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 164612211
N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 11405575
(3R)-2-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453212
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46185758
N-[[4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]-4-methylbenzamide
CID 3112547
3-[4-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3284862
[2-[2-(4-methoxybenzoyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] 4-methoxybenzoate
CID 3847862
4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46914885
[2-[2-benzoyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] benzoate
CID 3253484
[2-[(3S)-2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] benzoate
CID 7530281

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid?
The IUPAC name of 4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid (CID 164620461) is 4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid is COc1ccc(C2CC(c3ccccc3C)=NN2c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid?
The InChIKey is GXQWCRIDLAPVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-5-3-4-6-21(16)22-15-23(17-9-13-20(29-2)14-10-17)26(25-22)19-11-7-18(8-12-19)24(27)28/h3-14,23H,15H2,1-2H3,(H,27,28).
What are the key properties of 4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid?
4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid has a molecular weight of 386.45 g/mol, XLogP of 5.06, 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-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid is sourced from PubChem (CID 164620461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).