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

C24H22N2O4 — CID 70518687

IUPAC4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
SMILESCOc1ccc(C2CC(c3ccc(C(=O)O)cc3)=NN2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22N2O4/c1-29-20-11-7-17(8-12-20)23-15-22(16-3-5-18(6-4-16)24(27)28)25-26(23)19-9-13-21(30-2)14-10-19/h3-14,23H,15H2,1-2H3,(H,27,28)
InChIKeyHPRLEBFBTXYTIM-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.76
Rot. Bonds6

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

4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid (PubChem CID 70518687) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
PubChem CID70518687
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
SMILESCOc1ccc(C2CC(c3ccc(C(=O)O)cc3)=NN2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22N2O4/c1-29-20-11-7-17(8-12-20)23-15-22(16-3-5-18(6-4-16)24(27)28)25-26(23)19-9-13-21(30-2)14-10-19/h3-14,23H,15H2,1-2H3,(H,27,28)
InChIKeyHPRLEBFBTXYTIM-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-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 164612211
4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 164620461
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
4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46914885
ethyl 4-[(3S)-3-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoate
CID 101244113
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
4-methoxy-N-[[4-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]benzamide
CID 3808856
(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
CID 26723226
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-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3144804

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid?
The IUPAC name of 4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid (CID 70518687) is 4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid?
The canonical SMILES for 4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid is COc1ccc(C2CC(c3ccc(C(=O)O)cc3)=NN2c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid?
The InChIKey is HPRLEBFBTXYTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-29-20-11-7-17(8-12-20)23-15-22(16-3-5-18(6-4-16)24(27)28)25-26(23)19-9-13-21(30-2)14-10-19/h3-14,23H,15H2,1-2H3,(H,27,28).
What are the key properties of 4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid?
4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-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-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid is sourced from PubChem (CID 70518687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).