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

C23H19ClN2O2 — CID 135796160

IUPAC2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol
SMILESCc1ccc(COc2ccc(-c3[nH]ncc3-c3ccccc3Cl)c(O)c2)cc1
InChIInChI=1S/C23H19ClN2O2/c1-15-6-8-16(9-7-15)14-28-17-10-11-19(22(27)12-17)23-20(13-25-26-23)18-4-2-3-5-21(18)24/h2-13,27H,14H2,1H3,(H,25,26)
InChIKeyUGFYXJVONNXYHF-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.99
Rot. Bonds5

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

2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol (PubChem CID 135796160) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol
PubChem CID135796160
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol
SMILESCc1ccc(COc2ccc(-c3[nH]ncc3-c3ccccc3Cl)c(O)c2)cc1
InChIInChI=1S/C23H19ClN2O2/c1-15-6-8-16(9-7-15)14-28-17-10-11-19(22(27)12-17)23-20(13-25-26-23)18-4-2-3-5-21(18)24/h2-13,27H,14H2,1H3,(H,25,26)
InChIKeyUGFYXJVONNXYHF-UHFFFAOYSA-N
XLogP5.99
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135713335
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
CID 135765783
5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651484
5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135719415
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135652165
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651228
2-[4-(2-bromophenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol
CID 2009660
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135618857
5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol
CID 135651504
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol
CID 1414748
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-ethylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135719474

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol?
The IUPAC name of 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol (CID 135796160) is 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol?
The canonical SMILES for 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol is Cc1ccc(COc2ccc(-c3[nH]ncc3-c3ccccc3Cl)c(O)c2)cc1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol?
The InChIKey is UGFYXJVONNXYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-15-6-8-16(9-7-15)14-28-17-10-11-19(22(27)12-17)23-20(13-25-26-23)18-4-2-3-5-21(18)24/h2-13,27H,14H2,1H3,(H,25,26).
What are the key properties of 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol?
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol has a molecular weight of 390.87 g/mol, XLogP of 5.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol is sourced from PubChem (CID 135796160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).