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

C17H16N2O2 — CID 874817

IUPAC5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)n[nH]2)c(O)c1
InChIInChI=1S/C17H16N2O2/c1-11-3-5-12(6-4-11)15-10-16(19-18-15)14-8-7-13(21-2)9-17(14)20/h3-10,20H,1-2H3,(H,18,19)
InChIKeyNFMLQXFBDLNCSP-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.77
Rot. Bonds3

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

5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 874817) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
PubChem CID874817
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)n[nH]2)c(O)c1
InChIInChI=1S/C17H16N2O2/c1-11-3-5-12(6-4-11)15-10-16(19-18-15)14-8-7-13(21-2)9-17(14)20/h3-10,20H,1-2H3,(H,18,19)
InChIKeyNFMLQXFBDLNCSP-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 5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol (CID 874817) is 5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol is COc1ccc(-c2cc(-c3ccc(C)cc3)n[nH]2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is NFMLQXFBDLNCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-3-5-12(6-4-11)15-10-16(19-18-15)14-8-7-13(21-2)9-17(14)20/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of 5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol?
5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol 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 5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 874817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).