2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol

C17H16N2O2 — CID 755039

IUPAC2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3O)[nH]n2)cc1
InChIInChI=1S/C17H16N2O2/c1-11-3-8-14(17(20)9-11)16-10-15(18-19-16)12-4-6-13(21-2)7-5-12/h3-10,20H,1-2H3,(H,18,19)
InChIKeyGIHKGGCDNBVFBR-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.77
Rot. Bonds3

About 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol

2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol (PubChem CID 755039) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol
PubChem CID755039
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3O)[nH]n2)cc1
InChIInChI=1S/C17H16N2O2/c1-11-3-8-14(17(20)9-11)16-10-15(18-19-16)12-4-6-13(21-2)7-5-12/h3-10,20H,1-2H3,(H,18,19)
InChIKeyGIHKGGCDNBVFBR-UHFFFAOYSA-N
XLogP3.77
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol (CID 755039) is 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol is COc1ccc(-c2cc(-c3ccc(C)cc3O)[nH]n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol?
The InChIKey is GIHKGGCDNBVFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-3-8-14(17(20)9-11)16-10-15(18-19-16)12-4-6-13(21-2)7-5-12/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol?
2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol has a molecular weight of 280.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-methylphenol is sourced from PubChem (CID 755039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).