methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate

C25H22N2O5 — CID 135651536

IUPACmethyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C)cc1
InChIInChI=1S/C25H22N2O5/c1-16-24(32-19-10-8-18(9-11-19)25(29)30-2)23(27-26-16)21-13-12-20(14-22(21)28)31-15-17-6-4-3-5-7-17/h3-14,28H,15H2,1-2H3,(H,26,27)
InChIKeyCYRNGPRPRCODOW-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.25
Rot. Bonds7

About methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate

methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate (PubChem CID 135651536) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
PubChem CID135651536
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Namemethyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C)cc1
InChIInChI=1S/C25H22N2O5/c1-16-24(32-19-10-8-18(9-11-19)25(29)30-2)23(27-26-16)21-13-12-20(14-22(21)28)31-15-17-6-4-3-5-7-17/h3-14,28H,15H2,1-2H3,(H,26,27)
InChIKeyCYRNGPRPRCODOW-UHFFFAOYSA-N
XLogP5.25
TPSA93.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate with MolForge

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Related Compounds

methyl 4-[[3-[4-(2-hydrazinyl-2-oxoethoxy)-2-hydroxyphenyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
CID 2020812
propyl 4-[[3-[4-[(4-ethenylphenyl)methoxy]-2-hydroxyphenyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
CID 135651450
5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
CID 135651835
5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol
CID 1325225
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
CID 2022938
2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide
CID 1394611
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate
CID 1286937
3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol
CID 3639615
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol
CID 135651652

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate?
The IUPAC name of methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate (CID 135651536) is methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate?
The canonical SMILES for methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate is COC(=O)c1ccc(Oc2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C)cc1.
What is the InChIKey of methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate?
The InChIKey is CYRNGPRPRCODOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-16-24(32-19-10-8-18(9-11-19)25(29)30-2)23(27-26-16)21-13-12-20(14-22(21)28)31-15-17-6-4-3-5-7-17/h3-14,28H,15H2,1-2H3,(H,26,27).
What are the key properties of methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate?
methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate has a molecular weight of 430.46 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate is sourced from PubChem (CID 135651536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).