1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole

C19H17FN2O — CID 174627356

IUPAC1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole
SMILESFc1ccc(C2(CCn3cccn3)OCc3ccccc32)cc1
InChIInChI=1S/C19H17FN2O/c20-17-8-6-16(7-9-17)19(10-13-22-12-3-11-21-22)18-5-2-1-4-15(18)14-23-19/h1-9,11-12H,10,13-14H2
InChIKeySFAKPOVGMRDRLL-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.89
Rot. Bonds4

About 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole

1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole (PubChem CID 174627356) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole.

Molecular Properties

Compound Name1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole
PubChem CID174627356
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole
SMILESFc1ccc(C2(CCn3cccn3)OCc3ccccc32)cc1
InChIInChI=1S/C19H17FN2O/c20-17-8-6-16(7-9-17)19(10-13-22-12-3-11-21-22)18-5-2-1-4-15(18)14-23-19/h1-9,11-12H,10,13-14H2
InChIKeySFAKPOVGMRDRLL-UHFFFAOYSA-N
XLogP3.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole?
The IUPAC name of 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole (CID 174627356) is 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole.
What is the SMILES notation for 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole?
The canonical SMILES for 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole is Fc1ccc(C2(CCn3cccn3)OCc3ccccc32)cc1.
What is the InChIKey of 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole?
The InChIKey is SFAKPOVGMRDRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-17-8-6-16(7-9-17)19(10-13-22-12-3-11-21-22)18-5-2-1-4-15(18)14-23-19/h1-9,11-12H,10,13-14H2.
What are the key properties of 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole?
1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole has a molecular weight of 308.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]ethyl]pyrazole is sourced from PubChem (CID 174627356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).