5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

C19H24Cl2N6O — CID 120958674

IUPAC5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCC(C)c1c(-c2nc(C3CNCCN3C)no2)cnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C19H23ClN6O.ClH/c1-12(2)17-15(10-22-26(17)14-6-4-5-13(20)9-14)19-23-18(24-27-19)16-11-21-7-8-25(16)3;/h4-6,9-10,12,16,21H,7-8,11H2,1-3H3;1H
InChIKeyRPGOXTFMJYJXBQ-UHFFFAOYSA-N
MW423.35 g/mol
LogP3.70
Rot. Bonds4

About 5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120958674) has the molecular formula C19H24Cl2N6O and a molecular weight of 423.35 g/mol. Its IUPAC name is 5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120958674
Molecular FormulaC19H24Cl2N6O
Molecular Weight423.35 g/mol
Exact Mass422.14
IUPAC Name5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCC(C)c1c(-c2nc(C3CNCCN3C)no2)cnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C19H23ClN6O.ClH/c1-12(2)17-15(10-22-26(17)14-6-4-5-13(20)9-14)19-23-18(24-27-19)16-11-21-7-8-25(16)3;/h4-6,9-10,12,16,21H,7-8,11H2,1-3H3;1H
InChIKeyRPGOXTFMJYJXBQ-UHFFFAOYSA-N
XLogP3.70
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850498
6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylpyridazin-3-one;hydrochloride
CID 120958039
5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959246
N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120959975
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956487
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120961508
3-(1-methylpiperazin-2-yl)-5-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120957809
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120957367
5-[1-(3-chlorophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956834

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 120958674) is 5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is CC(C)c1c(-c2nc(C3CNCCN3C)no2)cnn1-c1cccc(Cl)c1.Cl.
What is the InChIKey of 5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is RPGOXTFMJYJXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O.ClH/c1-12(2)17-15(10-22-26(17)14-6-4-5-13(20)9-14)19-23-18(24-27-19)16-11-21-7-8-25(16)3;/h4-6,9-10,12,16,21H,7-8,11H2,1-3H3;1H.
What are the key properties of 5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 423.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120958674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).