2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol

C17H15ClN2O2 — CID 944814

IUPAC2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
InChIKeyGOFMZYXSJNCELR-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.42
Rot. Bonds3

About 2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol

2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol (PubChem CID 944814) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol
PubChem CID944814
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
InChIKeyGOFMZYXSJNCELR-UHFFFAOYSA-N
XLogP4.42
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol?
The IUPAC name of 2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol (CID 944814) is 2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol?
The canonical SMILES for 2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol is COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol?
The InChIKey is GOFMZYXSJNCELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20).
What are the key properties of 2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol?
2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol has a molecular weight of 314.77 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol is sourced from PubChem (CID 944814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).