2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole

C15H14N4O — CID 167775559

IUPAC2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(-c3cc4n(n3)CCC4)o2)cc1
InChIInChI=1S/C15H14N4O/c1-2-5-11(6-3-1)9-14-16-17-15(20-14)13-10-12-7-4-8-19(12)18-13/h1-3,5-6,10H,4,7-9H2
InChIKeyHNXAUHKORKIXLA-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.47
Rot. Bonds3

About 2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole

2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole (PubChem CID 167775559) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole
PubChem CID167775559
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(-c3cc4n(n3)CCC4)o2)cc1
InChIInChI=1S/C15H14N4O/c1-2-5-11(6-3-1)9-14-16-17-15(20-14)13-10-12-7-4-8-19(12)18-13/h1-3,5-6,10H,4,7-9H2
InChIKeyHNXAUHKORKIXLA-UHFFFAOYSA-N
XLogP2.47
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole (CID 167775559) is 2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole is c1ccc(Cc2nnc(-c3cc4n(n3)CCC4)o2)cc1.
What is the InChIKey of 2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is HNXAUHKORKIXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-5-11(6-3-1)9-14-16-17-15(20-14)13-10-12-7-4-8-19(12)18-13/h1-3,5-6,10H,4,7-9H2.
What are the key properties of 2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole?
2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 266.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 167775559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).