2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol

C17H15ClN2O2 — CID 135713335

IUPAC2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2[nH]ncc2-c2ccccc2Cl)c(O)c1
InChIInChI=1S/C17H15ClN2O2/c1-2-22-11-7-8-13(16(21)9-11)17-14(10-19-20-17)12-5-3-4-6-15(12)18/h3-10,21H,2H2,1H3,(H,19,20)
InChIKeyYBHASOGFVQVANR-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.50
Rot. Bonds4

About 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol

2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol (PubChem CID 135713335) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
PubChem CID135713335
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2[nH]ncc2-c2ccccc2Cl)c(O)c1
InChIInChI=1S/C17H15ClN2O2/c1-2-22-11-7-8-13(16(21)9-11)17-14(10-19-20-17)12-5-3-4-6-15(12)18/h3-10,21H,2H2,1H3,(H,19,20)
InChIKeyYBHASOGFVQVANR-UHFFFAOYSA-N
XLogP4.50
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
CID 135765783
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol
CID 135796160
5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
CID 764663
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 663570
2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135610298
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135652165
1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene
CID 141265630
5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135719415
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651228
5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651484
ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate
CID 71739294

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol?
The IUPAC name of 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol (CID 135713335) is 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol?
The canonical SMILES for 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol is CCOc1ccc(-c2[nH]ncc2-c2ccccc2Cl)c(O)c1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol?
The InChIKey is YBHASOGFVQVANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-2-22-11-7-8-13(16(21)9-11)17-14(10-19-20-17)12-5-3-4-6-15(12)18/h3-10,21H,2H2,1H3,(H,19,20).
What are the key properties of 2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol?
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol has a molecular weight of 314.77 g/mol, XLogP of 4.50, 4 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-ethoxyphenol is sourced from PubChem (CID 135713335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).