[5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone

C18H16N2O3 — CID 886383

IUPAC[5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone
SMILESCOc1ccc(O)c(-c2[nH]ncc2C(=O)c2cccc(C)c2)c1
InChIInChI=1S/C18H16N2O3/c1-11-4-3-5-12(8-11)18(22)15-10-19-20-17(15)14-9-13(23-2)6-7-16(14)21/h3-10,21H,1-2H3,(H,19,20)
InChIKeyZGWVQOFRBILUFI-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.33
Rot. Bonds4

About [5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone

[5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone (PubChem CID 886383) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone
PubChem CID886383
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone
SMILESCOc1ccc(O)c(-c2[nH]ncc2C(=O)c2cccc(C)c2)c1
InChIInChI=1S/C18H16N2O3/c1-11-4-3-5-12(8-11)18(22)15-10-19-20-17(15)14-9-13(23-2)6-7-16(14)21/h3-10,21H,1-2H3,(H,19,20)
InChIKeyZGWVQOFRBILUFI-UHFFFAOYSA-N
XLogP3.33
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone?
The IUPAC name of [5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone (CID 886383) is [5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone is COc1ccc(O)c(-c2[nH]ncc2C(=O)c2cccc(C)c2)c1.
What is the InChIKey of [5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone?
The InChIKey is ZGWVQOFRBILUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-4-3-5-12(8-11)18(22)15-10-19-20-17(15)14-9-13(23-2)6-7-16(14)21/h3-10,21H,1-2H3,(H,19,20).
What are the key properties of [5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone?
[5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone has a molecular weight of 308.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 886383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).