5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol

C25H23ClN2O2 — CID 147700932

IUPAC5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol
SMILESCc1ccc(-c2c(C)nn(C)c2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1
InChIInChI=1S/C25H23ClN2O2/c1-16-4-8-19(9-5-16)24-17(2)27-28(3)25(24)22-13-12-21(14-23(22)29)30-15-18-6-10-20(26)11-7-18/h4-14,29H,15H2,1-3H3
InChIKeyGSVFVOCLBZWRED-UHFFFAOYSA-N
MW418.92 g/mol
LogP6.31
Rot. Bonds5

About 5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol

5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol (PubChem CID 147700932) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol
PubChem CID147700932
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol
SMILESCc1ccc(-c2c(C)nn(C)c2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1
InChIInChI=1S/C25H23ClN2O2/c1-16-4-8-19(9-5-16)24-17(2)27-28(3)25(24)22-13-12-21(14-23(22)29)30-15-18-6-10-20(26)11-7-18/h4-14,29H,15H2,1-3H3
InChIKeyGSVFVOCLBZWRED-UHFFFAOYSA-N
XLogP6.31
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[(4-chlorophenyl)methoxy]phenol
CID 137196381
5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 137183302
2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-methylphenyl)methoxy]phenol
CID 2035965
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine
CID 22037545
5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183413
4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
CID 142305322
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
diethyl 4-[4-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232718
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol
CID 135796160
2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole
CID 134335662

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol (CID 147700932) is 5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol is Cc1ccc(-c2c(C)nn(C)c2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol?
The InChIKey is GSVFVOCLBZWRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-16-4-8-19(9-5-16)24-17(2)27-28(3)25(24)22-13-12-21(14-23(22)29)30-15-18-6-10-20(26)11-7-18/h4-14,29H,15H2,1-3H3.
What are the key properties of 5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol?
5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol has a molecular weight of 418.92 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 147700932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).