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

C20H24N6O — CID 120958731

IUPAC5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-n2nc(-c3nc(C4CNCCN4C)no3)c3c2CCC3)cc1
InChIInChI=1S/C20H24N6O/c1-13-6-8-14(9-7-13)26-16-5-3-4-15(16)18(23-26)20-22-19(24-27-20)17-12-21-10-11-25(17)2/h6-9,17,21H,3-5,10-12H2,1-2H3
InChIKeyPZHIWAKESGOMBB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.30
Rot. Bonds3

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

5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120958731) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120958731
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-n2nc(-c3nc(C4CNCCN4C)no3)c3c2CCC3)cc1
InChIInChI=1S/C20H24N6O/c1-13-6-8-14(9-7-13)26-16-5-3-4-15(16)18(23-26)20-22-19(24-27-20)17-12-21-10-11-25(17)2/h6-9,17,21H,3-5,10-12H2,1-2H3
InChIKeyPZHIWAKESGOMBB-UHFFFAOYSA-N
XLogP2.30
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957078
3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole
CID 75463100
3-(1-methylpiperazin-2-yl)-5-[4-(5-methylpyrazol-1-yl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120960454
3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride
CID 120957289
5-[1-(4-methylphenyl)triazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957172
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(2-iodo-5-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958607
3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 120958353
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957486
5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958991

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120958731) is 5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is Cc1ccc(-n2nc(-c3nc(C4CNCCN4C)no3)c3c2CCC3)cc1.
What is the InChIKey of 5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is PZHIWAKESGOMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-6-8-14(9-7-13)26-16-5-3-4-15(16)18(23-26)20-22-19(24-27-20)17-12-21-10-11-25(17)2/h6-9,17,21H,3-5,10-12H2,1-2H3.
What are the key properties of 5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 364.45 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120958731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).