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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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).