2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol

C24H22N2O3 — CID 2022938

IUPAC2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
SMILESCOc1ccc(-c2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C)cc1
InChIInChI=1S/C24H22N2O3/c1-16-23(18-8-10-19(28-2)11-9-18)24(26-25-16)21-13-12-20(14-22(21)27)29-15-17-6-4-3-5-7-17/h3-14,27H,15H2,1-2H3,(H,25,26)
InChIKeyKRTNBVOFEWKFJU-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.35
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol

2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol (PubChem CID 2022938) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
PubChem CID2022938
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
SMILESCOc1ccc(-c2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C)cc1
InChIInChI=1S/C24H22N2O3/c1-16-23(18-8-10-19(28-2)11-9-18)24(26-25-16)21-13-12-20(14-22(21)27)29-15-17-6-4-3-5-7-17/h3-14,27H,15H2,1-2H3,(H,25,26)
InChIKeyKRTNBVOFEWKFJU-UHFFFAOYSA-N
XLogP5.35
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol
CID 135656441
5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
CID 135651835
methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
CID 135651536
5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 943784
5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol
CID 1325225
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 3647867
2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
CID 135651528
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol
CID 984001
4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
CID 888681
2-phenyl-5-phenylmethoxyphenol
CID 123808909
3,6-bis(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)pyridine
CID 18923794
5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651708

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol?
The IUPAC name of 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol (CID 2022938) is 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol is COc1ccc(-c2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol?
The InChIKey is KRTNBVOFEWKFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-23(18-8-10-19(28-2)11-9-18)24(26-25-16)21-13-12-20(14-22(21)27)29-15-17-6-4-3-5-7-17/h3-14,27H,15H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol?
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol has a molecular weight of 386.45 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol is sourced from PubChem (CID 2022938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).