3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C18H28N6O — CID 136568387

IUPAC3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(Cc3c4c(nn3C)CCC4)CC2)n1
InChIInChI=1S/C18H28N6O/c1-4-17-19-18(25-21-17)13(2)24-10-8-23(9-11-24)12-16-14-6-5-7-15(14)20-22(16)3/h13H,4-12H2,1-3H3
InChIKeyQLPQULMDIKRSOF-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.73
Rot. Bonds5

About 3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 136568387) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID136568387
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(Cc3c4c(nn3C)CCC4)CC2)n1
InChIInChI=1S/C18H28N6O/c1-4-17-19-18(25-21-17)13(2)24-10-8-23(9-11-24)12-16-14-6-5-7-15(14)20-22(16)3/h13H,4-12H2,1-3H3
InChIKeyQLPQULMDIKRSOF-UHFFFAOYSA-N
XLogP1.73
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 136568387) is 3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is CCc1noc(C(C)N2CCN(Cc3c4c(nn3C)CCC4)CC2)n1.
What is the InChIKey of 3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is QLPQULMDIKRSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-4-17-19-18(25-21-17)13(2)24-10-8-23(9-11-24)12-16-14-6-5-7-15(14)20-22(16)3/h13H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 344.46 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 136568387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).