3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one

C16H14N2O4 — CID 146026429

IUPAC3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one
SMILESCOc1ccc(-c2[nH]ncc2-c2oc(C)cc(=O)c2O)cc1
InChIInChI=1S/C16H14N2O4/c1-9-7-13(19)15(20)16(22-9)12-8-17-18-14(12)10-3-5-11(21-2)6-4-10/h3-8,20H,1-2H3,(H,17,18)
InChIKeyHFQMCOGEQZGHFB-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.72
Rot. Bonds3

About 3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one

3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one (PubChem CID 146026429) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one
PubChem CID146026429
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one
SMILESCOc1ccc(-c2[nH]ncc2-c2oc(C)cc(=O)c2O)cc1
InChIInChI=1S/C16H14N2O4/c1-9-7-13(19)15(20)16(22-9)12-8-17-18-14(12)10-3-5-11(21-2)6-4-10/h3-8,20H,1-2H3,(H,17,18)
InChIKeyHFQMCOGEQZGHFB-UHFFFAOYSA-N
XLogP2.72
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one?
The IUPAC name of 3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one (CID 146026429) is 3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one.
What is the SMILES notation for 3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one?
The canonical SMILES for 3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one is COc1ccc(-c2[nH]ncc2-c2oc(C)cc(=O)c2O)cc1.
What is the InChIKey of 3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one?
The InChIKey is HFQMCOGEQZGHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-9-7-13(19)15(20)16(22-9)12-8-17-18-14(12)10-3-5-11(21-2)6-4-10/h3-8,20H,1-2H3,(H,17,18).
What are the key properties of 3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one?
3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one has a molecular weight of 298.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one is sourced from PubChem (CID 146026429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).