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

C17H16N2O2 — CID 1358031

IUPAC4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(O)c(-c2cc(-c3ccccc3C)[nH]n2)c1
InChIInChI=1S/C17H16N2O2/c1-11-5-3-4-6-13(11)15-10-16(19-18-15)14-9-12(21-2)7-8-17(14)20/h3-10,20H,1-2H3,(H,18,19)
InChIKeyVAHXELJCMANNLM-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.77
Rot. Bonds3

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

4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol (PubChem CID 1358031) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
PubChem CID1358031
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(O)c(-c2cc(-c3ccccc3C)[nH]n2)c1
InChIInChI=1S/C17H16N2O2/c1-11-5-3-4-6-13(11)15-10-16(19-18-15)14-9-12(21-2)7-8-17(14)20/h3-10,20H,1-2H3,(H,18,19)
InChIKeyVAHXELJCMANNLM-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 4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol (CID 1358031) is 4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol is COc1ccc(O)c(-c2cc(-c3ccccc3C)[nH]n2)c1.
What is the InChIKey of 4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is VAHXELJCMANNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-5-3-4-6-13(11)15-10-16(19-18-15)14-9-12(21-2)7-8-17(14)20/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol?
4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-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 4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 1358031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).