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

C21H26N6O — CID 120957078

IUPAC5-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-n2nc(-c3nc(C4CNCCN4C)no3)c3c2CCC3)c(C)c1
InChIInChI=1S/C21H26N6O/c1-13-7-8-16(14(2)11-13)27-17-6-4-5-15(17)19(24-27)21-23-20(25-28-21)18-12-22-9-10-26(18)3/h7-8,11,18,22H,4-6,9-10,12H2,1-3H3
InChIKeyMHCMPSCPWVATPK-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.60
Rot. Bonds3

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

5-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120957078) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120957078
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name5-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-n2nc(-c3nc(C4CNCCN4C)no3)c3c2CCC3)c(C)c1
InChIInChI=1S/C21H26N6O/c1-13-7-8-16(14(2)11-13)27-17-6-4-5-15(17)19(24-27)21-23-20(25-28-21)18-12-22-9-10-26(18)3/h7-8,11,18,22H,4-6,9-10,12H2,1-3H3
InChIKeyMHCMPSCPWVATPK-UHFFFAOYSA-N
XLogP2.60
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958731
5-(2-iodo-5-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958607
3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride
CID 120957289
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
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-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 120958353
5-(4-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957282
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
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957485
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

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 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) is 5-[1-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2,4-dimethylphenyl)-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)c(C)c1.
What is the InChIKey of 5-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is MHCMPSCPWVATPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-13-7-8-16(14(2)11-13)27-17-6-4-5-15(17)19(24-27)21-23-20(25-28-21)18-12-22-9-10-26(18)3/h7-8,11,18,22H,4-6,9-10,12H2,1-3H3.
What are the key properties of 5-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 378.48 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120957078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).