[5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone

C18H13FN2O2 — CID 71185252

IUPAC[5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2cc3ccccc3o2)=N1
InChIInChI=1S/C18H13FN2O2/c19-14-6-3-5-13(10-14)18(22)21-9-8-15(20-21)17-11-12-4-1-2-7-16(12)23-17/h1-7,10-11H,8-9H2
InChIKeyGTFCRQDBUSIRPA-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.82
Rot. Bonds2

About [5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone

[5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone (PubChem CID 71185252) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is [5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
PubChem CID71185252
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name[5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2cc3ccccc3o2)=N1
InChIInChI=1S/C18H13FN2O2/c19-14-6-3-5-13(10-14)18(22)21-9-8-15(20-21)17-11-12-4-1-2-7-16(12)23-17/h1-7,10-11H,8-9H2
InChIKeyGTFCRQDBUSIRPA-UHFFFAOYSA-N
XLogP3.82
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone (CID 71185252) is [5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCC(c2cc3ccccc3o2)=N1.
What is the InChIKey of [5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
The InChIKey is GTFCRQDBUSIRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-14-6-3-5-13(10-14)18(22)21-9-8-15(20-21)17-11-12-4-1-2-7-16(12)23-17/h1-7,10-11H,8-9H2.
What are the key properties of [5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
[5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone has a molecular weight of 308.31 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 71185252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).