[1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone

C18H16N2O5 — CID 2116215

IUPAC[1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cnn(C(=O)c3cc(C)oc3C)c2)c1
InChIInChI=1S/C18H16N2O5/c1-10-6-14(11(2)25-10)18(23)20-9-12(8-19-20)17(22)15-7-13(24-3)4-5-16(15)21/h4-9,21H,1-3H3
InChIKeyKYARANHUQJKWEW-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.73
Rot. Bonds4

About [1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone

[1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone (PubChem CID 2116215) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is [1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone
PubChem CID2116215
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name[1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cnn(C(=O)c3cc(C)oc3C)c2)c1
InChIInChI=1S/C18H16N2O5/c1-10-6-14(11(2)25-10)18(23)20-9-12(8-19-20)17(22)15-7-13(24-3)4-5-16(15)21/h4-9,21H,1-3H3
InChIKeyKYARANHUQJKWEW-UHFFFAOYSA-N
XLogP2.73
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The IUPAC name of [1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone (CID 2116215) is [1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone.
What is the SMILES notation for [1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The canonical SMILES for [1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone is COc1ccc(O)c(C(=O)c2cnn(C(=O)c3cc(C)oc3C)c2)c1.
What is the InChIKey of [1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The InChIKey is KYARANHUQJKWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-10-6-14(11(2)25-10)18(23)20-9-12(8-19-20)17(22)15-7-13(24-3)4-5-16(15)21/h4-9,21H,1-3H3.
What are the key properties of [1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
[1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone has a molecular weight of 340.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylfuran-3-carbonyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone is sourced from PubChem (CID 2116215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).