(3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone

C17H15FN2O3 — CID 5076881

IUPAC(3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
SMILESCc1cc(C)n(C(=O)c2ccc(COc3ccc(F)cc3)o2)n1
InChIInChI=1S/C17H15FN2O3/c1-11-9-12(2)20(19-11)17(21)16-8-7-15(23-16)10-22-14-5-3-13(18)4-6-14/h3-9H,10H2,1-2H3
InChIKeyBPLNNNQLWXPQEF-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.50
Rot. Bonds4

About (3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone

(3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone (PubChem CID 5076881) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
PubChem CID5076881
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name(3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
SMILESCc1cc(C)n(C(=O)c2ccc(COc3ccc(F)cc3)o2)n1
InChIInChI=1S/C17H15FN2O3/c1-11-9-12(2)20(19-11)17(21)16-8-7-15(23-16)10-22-14-5-3-13(18)4-6-14/h3-9H,10H2,1-2H3
InChIKeyBPLNNNQLWXPQEF-UHFFFAOYSA-N
XLogP3.50
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone (CID 5076881) is (3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone is Cc1cc(C)n(C(=O)c2ccc(COc3ccc(F)cc3)o2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
The InChIKey is BPLNNNQLWXPQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-11-9-12(2)20(19-11)17(21)16-8-7-15(23-16)10-22-14-5-3-13(18)4-6-14/h3-9H,10H2,1-2H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
(3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone has a molecular weight of 314.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 5076881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).