2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid

C24H22N2O4 — CID 7675432

IUPAC2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid
SMILESCOc1cc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)ccc1OCC(=O)O
InChIInChI=1S/C24H22N2O4/c1-29-23-14-18(12-13-22(23)30-16-24(27)28)21-15-20(17-8-4-2-5-9-17)25-26(21)19-10-6-3-7-11-19/h2-14,21H,15-16H2,1H3,(H,27,28)/t21-/m1/s1
InChIKeyBPERWKHCZSFQRP-OAQYLSRUSA-N
MW402.45 g/mol
LogP4.51
Rot. Bonds7

About 2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid

2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid (PubChem CID 7675432) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid
PubChem CID7675432
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid
SMILESCOc1cc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)ccc1OCC(=O)O
InChIInChI=1S/C24H22N2O4/c1-29-23-14-18(12-13-22(23)30-16-24(27)28)21-15-20(17-8-4-2-5-9-17)25-26(21)19-10-6-3-7-11-19/h2-14,21H,15-16H2,1H3,(H,27,28)/t21-/m1/s1
InChIKeyBPERWKHCZSFQRP-OAQYLSRUSA-N
XLogP4.51
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031
(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893
2-chloro-1-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 66488358
2-[3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 56692595
4-[2-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzaldehyde
CID 66488250
4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 66488350
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
3-[(3R)-3-(4-ethoxy-3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-hydroxychromen-2-one
CID 136716432
2-[4-[2-carbamothioyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]-2-methoxyphenoxy]acetic acid
CID 16729231
1-[(3S)-3-(3-hydroxy-4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 8721763
[(3R)-3,5-bis(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 41068474

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid (CID 7675432) is 2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid is COc1cc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid?
The InChIKey is BPERWKHCZSFQRP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-29-23-14-18(12-13-22(23)30-16-24(27)28)21-15-20(17-8-4-2-5-9-17)25-26(21)19-10-6-3-7-11-19/h2-14,21H,15-16H2,1H3,(H,27,28)/t21-/m1/s1.
What are the key properties of 2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid?
2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid has a molecular weight of 402.45 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid is sourced from PubChem (CID 7675432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).