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

C24H22N2O3 — CID 164612211

IUPAC4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
SMILESCOc1ccc(C2CC(c3cccc(C)c3)=NN2c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-16-4-3-5-19(14-16)22-15-23(17-8-12-21(29-2)13-9-17)26(25-22)20-10-6-18(7-11-20)24(27)28/h3-14,23H,15H2,1-2H3,(H,27,28)
InChIKeyCLMZPUIATFGUSK-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.06
Rot. Bonds5

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

4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid (PubChem CID 164612211) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
PubChem CID164612211
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
SMILESCOc1ccc(C2CC(c3cccc(C)c3)=NN2c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-16-4-3-5-19(14-16)22-15-23(17-8-12-21(29-2)13-9-17)26(25-22)20-10-6-18(7-11-20)24(27)28/h3-14,23H,15H2,1-2H3,(H,27,28)
InChIKeyCLMZPUIATFGUSK-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
4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 164620461
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
3-[4-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3284862
N-[[4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]-4-methylbenzamide
CID 3112547
4-[5-(3-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 42628036
4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
CID 98593755
1-[(3S)-3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 129420976
4-methoxy-N-[[4-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]benzamide
CID 3808856
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid?
The IUPAC name of 4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid (CID 164612211) is 4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid is COc1ccc(C2CC(c3cccc(C)c3)=NN2c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid?
The InChIKey is CLMZPUIATFGUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-4-3-5-19(14-16)22-15-23(17-8-12-21(29-2)13-9-17)26(25-22)20-10-6-18(7-11-20)24(27)28/h3-14,23H,15H2,1-2H3,(H,27,28).
What are the key properties of 4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid?
4-[3-(4-methoxyphenyl)-5-(3-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-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid is sourced from PubChem (CID 164612211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).