3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole

C17H15FN4O — CID 75463100

IUPAC3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-n2nc(-c3nc(C4CC4)no3)c3c2CCC3)cc1
InChIInChI=1S/C17H15FN4O/c18-11-6-8-12(9-7-11)22-14-3-1-2-13(14)15(20-22)17-19-16(21-23-17)10-4-5-10/h6-10H,1-5H2
InChIKeyIXDLQZUIASQRSU-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.43
Rot. Bonds3

About 3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole (PubChem CID 75463100) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole
PubChem CID75463100
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-n2nc(-c3nc(C4CC4)no3)c3c2CCC3)cc1
InChIInChI=1S/C17H15FN4O/c18-11-6-8-12(9-7-11)22-14-3-1-2-13(14)15(20-22)17-19-16(21-23-17)10-4-5-10/h6-10H,1-5H2
InChIKeyIXDLQZUIASQRSU-UHFFFAOYSA-N
XLogP3.43
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole (CID 75463100) is 3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole is Fc1ccc(-n2nc(-c3nc(C4CC4)no3)c3c2CCC3)cc1.
What is the InChIKey of 3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole?
The InChIKey is IXDLQZUIASQRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-11-6-8-12(9-7-11)22-14-3-1-2-13(14)15(20-22)17-19-16(21-23-17)10-4-5-10/h6-10H,1-5H2.
What are the key properties of 3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole has a molecular weight of 310.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75463100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).