5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C14H20N6O — CID 120959189

IUPAC5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2cc(C3CC3)n(C)n2)n1
InChIInChI=1S/C14H20N6O/c1-19-6-5-15-8-12(19)13-16-14(21-18-13)10-7-11(9-3-4-9)20(2)17-10/h7,9,12,15H,3-6,8H2,1-2H3
InChIKeySASNVVMDRGWDNO-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.92
Rot. Bonds3

About 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120959189) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120959189
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2cc(C3CC3)n(C)n2)n1
InChIInChI=1S/C14H20N6O/c1-19-6-5-15-8-12(19)13-16-14(21-18-13)10-7-11(9-3-4-9)20(2)17-10/h7,9,12,15H,3-6,8H2,1-2H3
InChIKeySASNVVMDRGWDNO-UHFFFAOYSA-N
XLogP0.92
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142
5-(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960909
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
3-(1-methylpiperazin-2-yl)-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 120957198
5-(5-bromofuran-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960131
3-(1-methylpiperazin-2-yl)-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole;hydrochloride
CID 120960436
3-(1-methylpiperazin-2-yl)-5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 120960263
5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959246
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
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

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120959189) is 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is CN1CCNCC1c1noc(-c2cc(C3CC3)n(C)n2)n1.
What is the InChIKey of 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is SASNVVMDRGWDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-19-6-5-15-8-12(19)13-16-14(21-18-13)10-7-11(9-3-4-9)20(2)17-10/h7,9,12,15H,3-6,8H2,1-2H3.
What are the key properties of 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 288.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120959189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).