2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol

C24H19Cl3N2O3 — CID 135770022

IUPAC2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol
SMILESCc1cc(Oc2cn[nH]c2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2O)cc(C)c1Cl
InChIInChI=1S/C24H19Cl3N2O3/c1-13-7-18(8-14(2)23(13)27)32-22-11-28-29-24(22)19-6-5-17(10-21(19)30)31-12-15-3-4-16(25)9-20(15)26/h3-11,30H,12H2,1-2H3,(H,28,29)
InChIKeyBRFJCCXXDMKRSF-UHFFFAOYSA-N
MW489.79 g/mol
LogP7.73
Rot. Bonds6

About 2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol

2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol (PubChem CID 135770022) has the molecular formula C24H19Cl3N2O3 and a molecular weight of 489.79 g/mol. Its IUPAC name is 2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol.

Molecular Properties

Compound Name2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol
PubChem CID135770022
Molecular FormulaC24H19Cl3N2O3
Molecular Weight489.79 g/mol
Exact Mass488.05
IUPAC Name2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol
SMILESCc1cc(Oc2cn[nH]c2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2O)cc(C)c1Cl
InChIInChI=1S/C24H19Cl3N2O3/c1-13-7-18(8-14(2)23(13)27)32-22-11-28-29-24(22)19-6-5-17(10-21(19)30)31-12-15-3-4-16(25)9-20(15)26/h3-11,30H,12H2,1-2H3,(H,28,29)
InChIKeyBRFJCCXXDMKRSF-UHFFFAOYSA-N
XLogP7.73
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.79
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135618857
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-ethylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135719474
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651228
5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135719415
2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135610298
5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
CID 764663
5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
CID 1387328
2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid
CID 919830
2-[4-(4-tert-butylphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol
CID 135594217
2-[4-(2-bromophenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol
CID 2009660
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol
CID 135796160
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135713335

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol?
The IUPAC name of 2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol (CID 135770022) is 2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol.
What is the SMILES notation for 2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol?
The canonical SMILES for 2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol is Cc1cc(Oc2cn[nH]c2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2O)cc(C)c1Cl.
What is the InChIKey of 2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol?
The InChIKey is BRFJCCXXDMKRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl3N2O3/c1-13-7-18(8-14(2)23(13)27)32-22-11-28-29-24(22)19-6-5-17(10-21(19)30)31-12-15-3-4-16(25)9-20(15)26/h3-11,30H,12H2,1-2H3,(H,28,29).
What are the key properties of 2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol?
2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol has a molecular weight of 489.79 g/mol, XLogP of 7.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol is sourced from PubChem (CID 135770022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).