5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol

C23H19ClN2O3 — CID 135719415

IUPAC5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol
SMILESCc1cccc(Oc2cn[nH]c2-c2ccc(OCc3ccccc3Cl)cc2O)c1
InChIInChI=1S/C23H19ClN2O3/c1-15-5-4-7-18(11-15)29-22-13-25-26-23(22)19-10-9-17(12-21(19)27)28-14-16-6-2-3-8-20(16)24/h2-13,27H,14H2,1H3,(H,25,26)
InChIKeyAJUHLIBHCSABQS-UHFFFAOYSA-N
MW406.87 g/mol
LogP6.12
Rot. Bonds6

About 5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol

5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol (PubChem CID 135719415) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol
PubChem CID135719415
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol
SMILESCc1cccc(Oc2cn[nH]c2-c2ccc(OCc3ccccc3Cl)cc2O)c1
InChIInChI=1S/C23H19ClN2O3/c1-15-5-4-7-18(11-15)29-22-13-25-26-23(22)19-10-9-17(12-21(19)27)28-14-16-6-2-3-8-20(16)24/h2-13,27H,14H2,1H3,(H,25,26)
InChIKeyAJUHLIBHCSABQS-UHFFFAOYSA-N
XLogP6.12
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
CID 135709545
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135618857
2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol
CID 135770022
5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
CID 764663
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-ethylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135719474
2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135610298
2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid
CID 919830
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
2-[4-(2-bromophenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol
CID 2009660
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396
2,5-bis[(2-chlorophenyl)methoxy]phenol
CID 139941911

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol (CID 135719415) is 5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol is Cc1cccc(Oc2cn[nH]c2-c2ccc(OCc3ccccc3Cl)cc2O)c1.
What is the InChIKey of 5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol?
The InChIKey is AJUHLIBHCSABQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-15-5-4-7-18(11-15)29-22-13-25-26-23(22)19-10-9-17(12-21(19)27)28-14-16-6-2-3-8-20(16)24/h2-13,27H,14H2,1H3,(H,25,26).
What are the key properties of 5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol?
5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol has a molecular weight of 406.87 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135719415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).