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

C18H16N2O3 — CID 921980

IUPAC[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cn[nH]c2-c2cc(C)ccc2O)cc1
InChIInChI=1S/C18H16N2O3/c1-11-3-8-16(21)14(9-11)17-15(10-19-20-17)18(22)12-4-6-13(23-2)7-5-12/h3-10,21H,1-2H3,(H,19,20)
InChIKeyQVWZXAOOBBOTKU-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.33
Rot. Bonds4

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

[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 921980) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)methanone
PubChem CID921980
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cn[nH]c2-c2cc(C)ccc2O)cc1
InChIInChI=1S/C18H16N2O3/c1-11-3-8-16(21)14(9-11)17-15(10-19-20-17)18(22)12-4-6-13(23-2)7-5-12/h3-10,21H,1-2H3,(H,19,20)
InChIKeyQVWZXAOOBBOTKU-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-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)methanone (CID 921980) is [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cn[nH]c2-c2cc(C)ccc2O)cc1.
What is the InChIKey of [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is QVWZXAOOBBOTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-3-8-16(21)14(9-11)17-15(10-19-20-17)18(22)12-4-6-13(23-2)7-5-12/h3-10,21H,1-2H3,(H,19,20).
What are the key properties of [5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)methanone?
[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)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-methylphenyl)-1H-pyrazol-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 921980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).