1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C20H20ClN5OS — CID 120855696

IUPAC1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3cn(-c4ccccc4)nc3-c3cccs3)n2)CCCC1
InChIInChI=1S/C20H19N5OS.ClH/c21-20(10-4-5-11-20)19-22-18(26-24-19)15-13-25(14-7-2-1-3-8-14)23-17(15)16-9-6-12-27-16;/h1-3,6-9,12-13H,4-5,10-11,21H2;1H
InChIKeyBCWSJFKFVCGICS-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.80
Rot. Bonds4

About 1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120855696) has the molecular formula C20H20ClN5OS and a molecular weight of 413.93 g/mol. Its IUPAC name is 1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120855696
Molecular FormulaC20H20ClN5OS
Molecular Weight413.93 g/mol
Exact Mass413.11
IUPAC Name1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3cn(-c4ccccc4)nc3-c3cccs3)n2)CCCC1
InChIInChI=1S/C20H19N5OS.ClH/c21-20(10-4-5-11-20)19-22-18(26-24-19)15-13-25(14-7-2-1-3-8-14)23-17(15)16-9-6-12-27-16;/h1-3,6-9,12-13H,4-5,10-11,21H2;1H
InChIKeyBCWSJFKFVCGICS-UHFFFAOYSA-N
XLogP4.80
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864388
1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862016
1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854456
1-[5-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850699
1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852559
1-[5-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856863
1-[5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862087
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851364
1-[5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856801
1-[5-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852694
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859634
1-[5-(5-cyclopropyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854271

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120855696) is 1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3cn(-c4ccccc4)nc3-c3cccs3)n2)CCCC1.
What is the InChIKey of 1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is BCWSJFKFVCGICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS.ClH/c21-20(10-4-5-11-20)19-22-18(26-24-19)15-13-25(14-7-2-1-3-8-14)23-17(15)16-9-6-12-27-16;/h1-3,6-9,12-13H,4-5,10-11,21H2;1H.
What are the key properties of 1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 413.93 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120855696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).