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

C17H15F3N2O4 — CID 2916647

IUPAC[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCOc1cccc(C2=NN(C(=O)c3ccc(C)o3)C(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C17H15F3N2O4/c1-10-6-7-14(26-10)15(23)22-16(24,17(18,19)20)9-13(21-22)11-4-3-5-12(8-11)25-2/h3-8,24H,9H2,1-2H3
InChIKeyFQOZQDKTVSAADQ-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.10
Rot. Bonds3

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

[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 2916647) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID2916647
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Name[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCOc1cccc(C2=NN(C(=O)c3ccc(C)o3)C(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C17H15F3N2O4/c1-10-6-7-14(26-10)15(23)22-16(24,17(18,19)20)9-13(21-22)11-4-3-5-12(8-11)25-2/h3-8,24H,9H2,1-2H3
InChIKeyFQOZQDKTVSAADQ-UHFFFAOYSA-N
XLogP3.10
TPSA75.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone (CID 2916647) is [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone is COc1cccc(C2=NN(C(=O)c3ccc(C)o3)C(O)(C(F)(F)F)C2)c1.
What is the InChIKey of [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is FQOZQDKTVSAADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-10-6-7-14(26-10)15(23)22-16(24,17(18,19)20)9-13(21-22)11-4-3-5-12(8-11)25-2/h3-8,24H,9H2,1-2H3.
What are the key properties of [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone?
[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 368.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 2916647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).