5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

C17H21ClN6O — CID 120958592

IUPAC5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1-c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C17H20N6O.ClH/c1-12-14(11-23(20-12)13-6-4-3-5-7-13)17-19-16(21-24-17)15-10-18-8-9-22(15)2;/h3-7,11,15,18H,8-10H2,1-2H3;1H
InChIKeyQPYOCPNIKLRJMZ-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.23
Rot. Bonds3

About 5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120958592) has the molecular formula C17H21ClN6O and a molecular weight of 360.85 g/mol. Its IUPAC name is 5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120958592
Molecular FormulaC17H21ClN6O
Molecular Weight360.85 g/mol
Exact Mass360.15
IUPAC Name5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1-c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C17H20N6O.ClH/c1-12-14(11-23(20-12)13-6-4-3-5-7-13)17-19-16(21-24-17)15-10-18-8-9-22(15)2;/h3-7,11,15,18H,8-10H2,1-2H3;1H
InChIKeyQPYOCPNIKLRJMZ-UHFFFAOYSA-N
XLogP2.23
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960090
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957059
3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960478
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride
CID 120958039
5-(3-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960185
5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958423
3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957007
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957485
5-[1-(4-methylphenyl)triazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957172

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 120958592) is 5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is Cc1nn(-c2ccccc2)cc1-c1nc(C2CNCCN2C)no1.Cl.
What is the InChIKey of 5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is QPYOCPNIKLRJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.ClH/c1-12-14(11-23(20-12)13-6-4-3-5-7-13)17-19-16(21-24-17)15-10-18-8-9-22(15)2;/h3-7,11,15,18H,8-10H2,1-2H3;1H.
What are the key properties of 5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 360.85 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120958592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).